N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C22H25N5O — CID 112854090

IUPACN-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCc2cccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-2-3-7-13-24-22(28)19-14-20(25-16-17-9-8-12-23-15-17)27-21(26-19)18-10-5-4-6-11-18/h4-6,8-12,14-15H,2-3,7,13,16H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyLFFCNUSSOYDZMY-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.07
Rot. Bonds9

About N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 112854090) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID112854090
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCc2cccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-2-3-7-13-24-22(28)19-14-20(25-16-17-9-8-12-23-15-17)27-21(26-19)18-10-5-4-6-11-18/h4-6,8-12,14-15H,2-3,7,13,16H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyLFFCNUSSOYDZMY-UHFFFAOYSA-N
XLogP4.07
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-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

6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729
6-methyl-N-pentyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329888
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854101
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112853570
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851378
N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191345
N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109165425

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 112854090) is N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(NCc2cccnc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is LFFCNUSSOYDZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-2-3-7-13-24-22(28)19-14-20(25-16-17-9-8-12-23-15-17)27-21(26-19)18-10-5-4-6-11-18/h4-6,8-12,14-15H,2-3,7,13,16H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112854090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).