6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide

C26H27Cl2N3O3 — CID 59846819

IUPAC6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide
SMILESCC(NC(=O)C(C)(C)Oc1ccc(C(N)=O)cn1)C(Cc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C26H27Cl2N3O3/c1-16(31-25(33)26(2,3)34-23-12-9-19(15-30-23)24(29)32)22(18-5-4-6-21(28)14-18)13-17-7-10-20(27)11-8-17/h4-12,14-16,22H,13H2,1-3H3,(H2,29,32)(H,31,33)
InChIKeyYCPWCKJKXNIUCQ-UHFFFAOYSA-N
MW500.43 g/mol
LogP5.18
Rot. Bonds9

About 6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide

6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide (PubChem CID 59846819) has the molecular formula C26H27Cl2N3O3 and a molecular weight of 500.43 g/mol. Its IUPAC name is 6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide
PubChem CID59846819
Molecular FormulaC26H27Cl2N3O3
Molecular Weight500.43 g/mol
Exact Mass499.14
IUPAC Name6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide
SMILESCC(NC(=O)C(C)(C)Oc1ccc(C(N)=O)cn1)C(Cc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C26H27Cl2N3O3/c1-16(31-25(33)26(2,3)34-23-12-9-19(15-30-23)24(29)32)22(18-5-4-6-21(28)14-18)13-17-7-10-20(27)11-8-17/h4-12,14-16,22H,13H2,1-3H3,(H2,29,32)(H,31,33)
InChIKeyYCPWCKJKXNIUCQ-UHFFFAOYSA-N
XLogP5.18
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.43
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-(4-chlorophenyl)-3-[[2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]butan-2-yl]benzamide
CID 163924092
2-[[5-(2-amino-2-iminoethoxy)-2-pyridinyl]oxy]-N-[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]-2-methylpropanamide
CID 59846817
N-[3-[3-(2-amino-2-oxoethoxy)phenyl]-4-(4-chlorophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 59846824
N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane
CID 142807512
N-[3-[3-(2-amino-2-iminoethoxy)phenyl]-4-(4-chlorophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25119024
6-[1-[[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-sulfinate
CID 23404806
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]-2-methylpropanamide
CID 142807556
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(5-chloropyrimidin-2-yl)oxy-2-methylpropanamide
CID 23404721
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane
CID 91332393
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
CID 23404712
2-(3-chlorophenoxy)-N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methylpropanamide
CID 129391340
N-[4-(4-chlorophenyl)-3-(3-ethenylphenyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
CID 142807522

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide (CID 59846819) is 6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide is CC(NC(=O)C(C)(C)Oc1ccc(C(N)=O)cn1)C(Cc1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of 6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is YCPWCKJKXNIUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N3O3/c1-16(31-25(33)26(2,3)34-23-12-9-19(15-30-23)24(29)32)22(18-5-4-6-21(28)14-18)13-17-7-10-20(27)11-8-17/h4-12,14-16,22H,13H2,1-3H3,(H2,29,32)(H,31,33).
What are the key properties of 6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide?
6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 500.43 g/mol, XLogP of 5.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 59846819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).