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

C26H28ClN5O2 — CID 135456002

IUPACN-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCl.N#Cc1c(-c2cccc(NC(=O)CCN3CCCCC3)c2)cc(-c2ccccc2O)nc1N
InChIInChI=1S/C26H27N5O2.ClH/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);1H
InChIKeyJSOVIGXHTAVERR-UHFFFAOYSA-N
MW478.00 g/mol
LogP4.81
Rot. Bonds6

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

N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride (PubChem CID 135456002) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride
PubChem CID135456002
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC NameN-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCl.N#Cc1c(-c2cccc(NC(=O)CCN3CCCCC3)c2)cc(-c2ccccc2O)nc1N
InChIInChI=1S/C26H27N5O2.ClH/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);1H
InChIKeyJSOVIGXHTAVERR-UHFFFAOYSA-N
XLogP4.81
TPSA115.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-(4-methylpiperazin-1-yl)propanamide;bis(2,2,2-trifluoroacetic acid)
CID 159916888
N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-2-piperazin-1-ylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 162332036
N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 135469605
2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 135530494
N-[3-cyano-6-(2-hydroxyphenyl)-4-[3-(methylamino)phenyl]-2-pyridinyl]formamide;3-piperidin-1-ylpropanal
CID 142143492
N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide
CID 135530508
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide
CID 56869700
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889

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;hydrochloride?
The IUPAC name of N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride (CID 135456002) is N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride?
The canonical SMILES for N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is JSOVIGXHTAVERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2.ClH/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);1H.
What are the key properties of N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride?
N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride has a molecular weight of 478.00 g/mol, XLogP of 4.81, 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;hydrochloride is sourced from PubChem (CID 135456002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).