4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide

C69H71N9O7 — CID 158139540

IUPAC4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
SMILESCc1cc(C2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3)cc2)no1.NC(=O)c1ccc(Oc2ccc(CN3CCC(c4ccccc4)C3)cc2)nc1.NC(=O)c1ccc(Oc2ccc(CN3CCCCC3c3ccccc3)cc2)nc1
InChIInChI=1S/C24H25N3O2.C23H23N3O2.C22H23N3O3/c25-24(28)20-11-14-23(26-16-20)29-21-12-9-18(10-13-21)17-27-15-5-4-8-22(27)19-6-2-1-3-7-19;24-23(27)19-8-11-22(25-14-19)28-21-9-6-17(7-10-21)15-26-13-12-20(16-26)18-4-2-1-3-5-18;1-15-13-20(24-28-15)21-3-2-12-25(21)14-16-4-8-18(9-5-16)27-19-10-6-17(7-11-19)22(23)26/h1-3,6-7,9-14,16,22H,4-5,8,15,17H2,(H2,25,28);1-11,14,20H,12-13,15-16H2,(H2,24,27);4-11,13,21H,2-3,12,14H2,1H3,(H2,23,26)
InChIKeyFTTPXNSBAWWRNO-UHFFFAOYSA-N
MW1138.38 g/mol
LogP12.87
Rot. Bonds18

About 4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide

4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 158139540) has the molecular formula C69H71N9O7 and a molecular weight of 1138.38 g/mol. Its IUPAC name is 4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
PubChem CID158139540
Molecular FormulaC69H71N9O7
Molecular Weight1138.38 g/mol
Exact Mass1137.55
IUPAC Name4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
SMILESCc1cc(C2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3)cc2)no1.NC(=O)c1ccc(Oc2ccc(CN3CCC(c4ccccc4)C3)cc2)nc1.NC(=O)c1ccc(Oc2ccc(CN3CCCCC3c3ccccc3)cc2)nc1
InChIInChI=1S/C24H25N3O2.C23H23N3O2.C22H23N3O3/c25-24(28)20-11-14-23(26-16-20)29-21-12-9-18(10-13-21)17-27-15-5-4-8-22(27)19-6-2-1-3-7-19;24-23(27)19-8-11-22(25-14-19)28-21-9-6-17(7-10-21)15-26-13-12-20(16-26)18-4-2-1-3-5-18;1-15-13-20(24-28-15)21-3-2-12-25(21)14-16-4-8-18(9-5-16)27-19-10-6-17(7-11-19)22(23)26/h1-3,6-7,9-14,16,22H,4-5,8,15,17H2,(H2,25,28);1-11,14,20H,12-13,15-16H2,(H2,24,27);4-11,13,21H,2-3,12,14H2,1H3,(H2,23,26)
InChIKeyFTTPXNSBAWWRNO-UHFFFAOYSA-N
XLogP12.87
TPSA218.49 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001138.38
LogP ≤ 512.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide with MolForge

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Related Compounds

N-((3S,4R)-3-fluoro-1-((5-methylisoxazol-3-yl)methyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 56652036
N-((3S,4R)-3-fluoro-1-((5-methylisoxazol-3-yl)methyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 122486215
US11091471, Example 22
CID 134604370
N-[3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 68093476
N-[(4R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 144323696
2-[(3R)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 148085083
2-[(3R,4S)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 158962205
3-[3-(2-Fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;bis(3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one);1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
CID 159970507
N-[[(3R,4S)-3-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 164079099
1-[6-[4-(3-Pyridin-3-yl-1,2-oxazol-5-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
CID 22379551
1-[6-[4-(5-Pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
CID 22379601
1-[6-[4-(5-Pyridin-3-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
CID 22379634

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide (CID 158139540) is 4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide is Cc1cc(C2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3)cc2)no1.NC(=O)c1ccc(Oc2ccc(CN3CCC(c4ccccc4)C3)cc2)nc1.NC(=O)c1ccc(Oc2ccc(CN3CCCCC3c3ccccc3)cc2)nc1.
What is the InChIKey of 4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is FTTPXNSBAWWRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2.C23H23N3O2.C22H23N3O3/c25-24(28)20-11-14-23(26-16-20)29-21-12-9-18(10-13-21)17-27-15-5-4-8-22(27)19-6-2-1-3-7-19;24-23(27)19-8-11-22(25-14-19)28-21-9-6-17(7-10-21)15-26-13-12-20(16-26)18-4-2-1-3-5-18;1-15-13-20(24-28-15)21-3-2-12-25(21)14-16-4-8-18(9-5-16)27-19-10-6-17(7-11-19)22(23)26/h1-3,6-7,9-14,16,22H,4-5,8,15,17H2,(H2,25,28);1-11,14,20H,12-13,15-16H2,(H2,24,27);4-11,13,21H,2-3,12,14H2,1H3,(H2,23,26).
What are the key properties of 4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 1138.38 g/mol, XLogP of 12.87, 18 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide;6-[4-[(2-phenylpiperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;6-[4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 158139540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).