N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C18H17N5O — CID 109307500

IUPACN-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C18H17N5O/c1-13-2-4-15(5-3-13)22-17(24)16-8-11-20-18(23-16)21-12-14-6-9-19-10-7-14/h2-11H,12H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyFDSNRUCUGQUNGH-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.04
Rot. Bonds5

About N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109307500) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109307500
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C18H17N5O/c1-13-2-4-15(5-3-13)22-17(24)16-8-11-20-18(23-16)21-12-14-6-9-19-10-7-14/h2-11H,12H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyFDSNRUCUGQUNGH-UHFFFAOYSA-N
XLogP3.04
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304225
6-methyl-N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330140
N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307504
N-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304554
N-(2-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307498
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307572
N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307571
2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727
N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307573
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109307500) is N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NCc3ccncc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is FDSNRUCUGQUNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-2-4-15(5-3-13)22-17(24)16-8-11-20-18(23-16)21-12-14-6-9-19-10-7-14/h2-11H,12H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).