1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C23H22FN7O — CID 77246647

IUPAC1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(-c2cc(N3CCCC(C(=O)NCc4ccncc4)C3)nc(N)n2)cc1F
InChIInChI=1S/C23H22FN7O/c24-19-10-16(3-4-17(19)12-25)20-11-21(30-23(26)29-20)31-9-1-2-18(14-31)22(32)28-13-15-5-7-27-8-6-15/h3-8,10-11,18H,1-2,9,13-14H2,(H,28,32)(H2,26,29,30)
InChIKeyXOQMGNPAYIWGAA-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.66
Rot. Bonds5

About 1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 77246647) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID77246647
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(-c2cc(N3CCCC(C(=O)NCc4ccncc4)C3)nc(N)n2)cc1F
InChIInChI=1S/C23H22FN7O/c24-19-10-16(3-4-17(19)12-25)20-11-21(30-23(26)29-20)31-9-1-2-18(14-31)22(32)28-13-15-5-7-27-8-6-15/h3-8,10-11,18H,1-2,9,13-14H2,(H,28,32)(H2,26,29,30)
InChIKeyXOQMGNPAYIWGAA-UHFFFAOYSA-N
XLogP2.66
TPSA120.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide 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

4-[2-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 58504496
tert-butyl N-[1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 76806940
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 53056954
1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-6-methylpiperidine-3-carboxylic acid
CID 75631175
4-[6-[(3R)-3-aminopiperidin-1-yl]-2-(methylamino)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 58504604
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96558140
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide
CID 91595542
(3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 29105207
tert-butyl N-[(3R)-1-[6-(4-cyano-3-fluorophenyl)-2-(methylamino)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 58504568
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90520568
(3S)-N-[(4-bromophenyl)methyl]-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 93065835

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 77246647) is 1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is N#Cc1ccc(-c2cc(N3CCCC(C(=O)NCc4ccncc4)C3)nc(N)n2)cc1F.
What is the InChIKey of 1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is XOQMGNPAYIWGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c24-19-10-16(3-4-17(19)12-25)20-11-21(30-23(26)29-20)31-9-1-2-18(14-31)22(32)28-13-15-5-7-27-8-6-15/h3-8,10-11,18H,1-2,9,13-14H2,(H,28,32)(H2,26,29,30).
What are the key properties of 1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 431.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 77246647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).