(2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide

C23H30N4O2 — CID 92987318

IUPAC(2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide
SMILESCCC(=O)N1CCCN(c2ccc(NC(=O)[C@H](CC)c3ccccc3)cn2)CC1
InChIInChI=1S/C23H30N4O2/c1-3-20(18-9-6-5-7-10-18)23(29)25-19-11-12-21(24-17-19)26-13-8-14-27(16-15-26)22(28)4-2/h5-7,9-12,17,20H,3-4,8,13-16H2,1-2H3,(H,25,29)/t20-/m1/s1
InChIKeySEBDNLLGBOGGTK-HXUWFJFHSA-N
MW394.52 g/mol
LogP3.66
Rot. Bonds6

About (2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide

(2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide (PubChem CID 92987318) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name(2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide
PubChem CID92987318
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide
SMILESCCC(=O)N1CCCN(c2ccc(NC(=O)[C@H](CC)c3ccccc3)cn2)CC1
InChIInChI=1S/C23H30N4O2/c1-3-20(18-9-6-5-7-10-18)23(29)25-19-11-12-21(24-17-19)26-13-8-14-27(16-15-26)22(28)4-2/h5-7,9-12,17,20H,3-4,8,13-16H2,1-2H3,(H,25,29)/t20-/m1/s1
InChIKeySEBDNLLGBOGGTK-HXUWFJFHSA-N
XLogP3.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide with MolForge

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
(2R)-N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 92987360
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 42849885
(2S)-N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 92987363
N-[6-[4-[(3-phenoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 46053929
4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 42850043
2-amino-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 43704585
(2S)-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]-2-phenylbutanamide
CID 7356460
2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 65224657
N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
CID 113015896
N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 46053392

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide?
The IUPAC name of (2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide (CID 92987318) is (2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for (2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide?
The canonical SMILES for (2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide is CCC(=O)N1CCCN(c2ccc(NC(=O)[C@H](CC)c3ccccc3)cn2)CC1.
What is the InChIKey of (2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide?
The InChIKey is SEBDNLLGBOGGTK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-20(18-9-6-5-7-10-18)23(29)25-19-11-12-21(24-17-19)26-13-8-14-27(16-15-26)22(28)4-2/h5-7,9-12,17,20H,3-4,8,13-16H2,1-2H3,(H,25,29)/t20-/m1/s1.
What are the key properties of (2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide?
(2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide has a molecular weight of 394.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 92987318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).