N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide

C20H25N3O — CID 67241110

IUPACN-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
SMILESCCCc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1
InChIInChI=1S/C20H25N3O/c1-2-4-18-9-8-17(14-22-18)20(24)23-19-10-6-15(7-11-19)16-5-3-12-21-13-16/h6-11,14,16,21H,2-5,12-13H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyFXSNKXCVSVSQEQ-MRXNPFEDSA-N
MW323.44 g/mol
LogP3.75
Rot. Bonds5

About N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide

N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide (PubChem CID 67241110) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
PubChem CID67241110
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
SMILESCCCc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1
InChIInChI=1S/C20H25N3O/c1-2-4-18-9-8-17(14-22-18)20(24)23-19-10-6-15(7-11-19)16-5-3-12-21-13-16/h6-11,14,16,21H,2-5,12-13H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyFXSNKXCVSVSQEQ-MRXNPFEDSA-N
XLogP3.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride
CID 67241132
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261
4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide
CID 110085480
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride
CID 67240535
N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 67239256
2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
CID 87320848
6-pyrazol-1-yl-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide;hydrochloride
CID 67241156
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide
CID 175718166

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide?
The IUPAC name of N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide (CID 67241110) is N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide is CCCc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1.
What is the InChIKey of N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide?
The InChIKey is FXSNKXCVSVSQEQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-4-18-9-8-17(14-22-18)20(24)23-19-10-6-15(7-11-19)16-5-3-12-21-13-16/h6-11,14,16,21H,2-5,12-13H2,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide?
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide is sourced from PubChem (CID 67241110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).