N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide

C26H27N5O2 — CID 135456003

IUPACN-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide
SMILESN#Cc1c(-c2cccc(NC(=O)CCN3CCCCC3)c2)cc(-c2ccccc2O)nc1N
InChIInChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-26(22)28)20-9-2-3-10-24(20)32)18-7-6-8-19(15-18)29-25(33)11-14-31-12-4-1-5-13-31/h2-3,6-10,15-16,32H,1,4-5,11-14H2,(H2,28,30)(H,29,33)
InChIKeyOGKJHWSTJKFLOO-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.39
Rot. Bonds6

About N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide

N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide (PubChem CID 135456003) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide
PubChem CID135456003
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide
SMILESN#Cc1c(-c2cccc(NC(=O)CCN3CCCCC3)c2)cc(-c2ccccc2O)nc1N
InChIInChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-26(22)28)20-9-2-3-10-24(20)32)18-7-6-8-19(15-18)29-25(33)11-14-31-12-4-1-5-13-31/h2-3,6-10,15-16,32H,1,4-5,11-14H2,(H2,28,30)(H,29,33)
InChIKeyOGKJHWSTJKFLOO-UHFFFAOYSA-N
XLogP4.39
TPSA115.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-6-(2-hydroxyphenyl)-4-(piperidin-3-yl)nicotinonitrile
CID 135432858
4-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-yl]-N-(2-piperidin-1-yl-ethyl)-benzamide
CID 135469553
2-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-yl]-N-(2-piperidin-1-yl-ethyl)-benzamide
CID 135530494
2-Amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
CID 135550601
2-Amino-4-(2-amino-2-phenylethyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135584957
2-Amino-4-(2-amino-ethyl)-6-(2-hydroxy-phenyl)-nicotinonitrile
CID 135584958
2-Amino-4-(2-amino-propyl)-6-(2-hydroxy-phenyl)-nicotinonitrile
CID 135584959
2-Amino-6-(2,6-dihydroxyphenyl)-4-(3-piperidinyl)-3-pyridinecarbonitrile
CID 135584961
2-Amino-6-(2,6-dihydroxyphenyl)-4-(4-piperidinyl)-3-pyridinecarbonitrile
CID 135584962
2-Amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile
CID 135584978
2-Amino-6-(2-hydroxyphenyl)-4-piperidin-2-ylpyridine-3-carbonitrile
CID 135584980
2-Amino-6-(2-hydroxyphenyl)-4-(4-piperidinyl)-3-pyridinecarbonitrile
CID 135584981

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide (CID 135456003) is N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide is N#Cc1c(-c2cccc(NC(=O)CCN3CCCCC3)c2)cc(-c2ccccc2O)nc1N.
What is the InChIKey of N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide?
The InChIKey is OGKJHWSTJKFLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-26(22)28)20-9-2-3-10-24(20)32)18-7-6-8-19(15-18)29-25(33)11-14-31-12-4-1-5-13-31/h2-3,6-10,15-16,32H,1,4-5,11-14H2,(H2,28,30)(H,29,33).
What are the key properties of N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide?
N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide has a molecular weight of 441.54 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 135456003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).