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

C26H27N5O2 — CID 135530494

IUPAC2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESN#Cc1c(-c2ccccc2C(=O)NCCN2CCCCC2)cc(-c2ccccc2O)nc1N
InChIInChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-25(22)28)20-10-4-5-11-24(20)32)18-8-2-3-9-19(18)26(33)29-12-15-31-13-6-1-7-14-31/h2-5,8-11,16,32H,1,6-7,12-15H2,(H2,28,30)(H,29,33)
InChIKeyNHYXVLQPWDAPJJ-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.79
Rot. Bonds6

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

2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 135530494) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID135530494
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESN#Cc1c(-c2ccccc2C(=O)NCCN2CCCCC2)cc(-c2ccccc2O)nc1N
InChIInChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-25(22)28)20-10-4-5-11-24(20)32)18-8-2-3-9-19(18)26(33)29-12-15-31-13-6-1-7-14-31/h2-5,8-11,16,32H,1,6-7,12-15H2,(H2,28,30)(H,29,33)
InChIKeyNHYXVLQPWDAPJJ-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride
CID 135456002
N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 135469605
2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 71896096
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide
CID 86944965
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-amino-6-(2-hydroxyphenyl)-4-(1-propylpiperidin-3-yl)pyridine-3-carbonitrile;methane
CID 157316787
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 123586173

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide (CID 135530494) is 2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide is N#Cc1c(-c2ccccc2C(=O)NCCN2CCCCC2)cc(-c2ccccc2O)nc1N.
What is the InChIKey of 2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is NHYXVLQPWDAPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c27-17-22-21(16-23(30-25(22)28)20-10-4-5-11-24(20)32)18-8-2-3-9-19(18)26(33)29-12-15-31-13-6-1-7-14-31/h2-5,8-11,16,32H,1,6-7,12-15H2,(H2,28,30)(H,29,33).
What are the key properties of 2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide?
2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 441.54 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 135530494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).