3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide

C21H26ClN3O — CID 125167685

IUPAC3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide
SMILESO=C(CCN1CCCCCC1)N[C@H](c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C21H26ClN3O/c22-19-9-7-17(8-10-19)21(18-6-5-12-23-16-18)24-20(26)11-15-25-13-3-1-2-4-14-25/h5-10,12,16,21H,1-4,11,13-15H2,(H,24,26)/t21-/m1/s1
InChIKeyPTNJNTKQHVUUPW-OAQYLSRUSA-N
MW371.91 g/mol
LogP4.21
Rot. Bonds6

About 3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide

3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide (PubChem CID 125167685) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide
PubChem CID125167685
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide
SMILESO=C(CCN1CCCCCC1)N[C@H](c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C21H26ClN3O/c22-19-9-7-17(8-10-19)21(18-6-5-12-23-16-18)24-20(26)11-15-25-13-3-1-2-4-14-25/h5-10,12,16,21H,1-4,11,13-15H2,(H,24,26)/t21-/m1/s1
InChIKeyPTNJNTKQHVUUPW-OAQYLSRUSA-N
XLogP4.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158462
3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460
N-[(S)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589039
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589038
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide
CID 20897097
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
CID 20897057
4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide
CID 56682756
1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908286
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide
CID 20897090

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide?
The IUPAC name of 3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide (CID 125167685) is 3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide.
What is the SMILES notation for 3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide?
The canonical SMILES for 3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide is O=C(CCN1CCCCCC1)N[C@H](c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of 3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide?
The InChIKey is PTNJNTKQHVUUPW-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26ClN3O/c22-19-9-7-17(8-10-19)21(18-6-5-12-23-16-18)24-20(26)11-15-25-13-3-1-2-4-14-25/h5-10,12,16,21H,1-4,11,13-15H2,(H,24,26)/t21-/m1/s1.
What are the key properties of 3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide?
3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide has a molecular weight of 371.91 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide is sourced from PubChem (CID 125167685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).