N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide

C19H20N4O2 — CID 135584989

IUPACN-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2O)cc(C2CCCNC2)c1C#N
InChIInChI=1S/C19H20N4O2/c1-12(24)22-19-16(10-20)15(13-5-4-8-21-11-13)9-17(23-19)14-6-2-3-7-18(14)25/h2-3,6-7,9,13,21,25H,4-5,8,11H2,1H3,(H,22,23,24)
InChIKeyDBRAYVOSSYTNGH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.75
Rot. Bonds3

About N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide

N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide (PubChem CID 135584989) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide
PubChem CID135584989
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2O)cc(C2CCCNC2)c1C#N
InChIInChI=1S/C19H20N4O2/c1-12(24)22-19-16(10-20)15(13-5-4-8-21-11-13)9-17(23-19)14-6-2-3-7-18(14)25/h2-3,6-7,9,13,21,25H,4-5,8,11H2,1H3,(H,22,23,24)
InChIKeyDBRAYVOSSYTNGH-UHFFFAOYSA-N
XLogP2.75
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol
CID 890931
(E)-2-cyano-3-(2-hydroxyphenyl)-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 939874
5-Pyrimidinecarbonitrile, 4-amino-2-(2,5-dihydroxyphenyl)-6-(3-piperidinyl)-
CID 135427928
2-Amino-6-(2-hydroxyphenyl)-4-(piperidin-3-yl)nicotinonitrile
CID 135432858
N-{3-[2-Amino-3-cyano-6-(2-hydroxyphenyl)pyridin-4-yl]phenyl}-3-(piperidin-1-yl)propanamide
CID 135456003
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

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide?
The IUPAC name of N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide (CID 135584989) is N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide is CC(=O)Nc1nc(-c2ccccc2O)cc(C2CCCNC2)c1C#N.
What is the InChIKey of N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide?
The InChIKey is DBRAYVOSSYTNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(24)22-19-16(10-20)15(13-5-4-8-21-11-13)9-17(23-19)14-6-2-3-7-18(14)25/h2-3,6-7,9,13,21,25H,4-5,8,11H2,1H3,(H,22,23,24).
What are the key properties of N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide?
N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-6-(2-hydroxyphenyl)-4-piperidin-3-yl-2-pyridinyl]acetamide is sourced from PubChem (CID 135584989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).