N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C17H15N5O — CID 109350174

IUPACN-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(NCc2ccncc2)ncn1
InChIInChI=1S/C17H15N5O/c23-17(22-14-4-2-1-3-5-14)15-10-16(21-12-20-15)19-11-13-6-8-18-9-7-13/h1-10,12H,11H2,(H,22,23)(H,19,20,21)
InChIKeyFVHHSMFODUKCLO-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.74
Rot. Bonds5

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

N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109350174) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109350174
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(NCc2ccncc2)ncn1
InChIInChI=1S/C17H15N5O/c23-17(22-14-4-2-1-3-5-14)15-10-16(21-12-20-15)19-11-13-6-8-18-9-7-13/h1-10,12H,11H2,(H,22,23)(H,19,20,21)
InChIKeyFVHHSMFODUKCLO-UHFFFAOYSA-N
XLogP2.74
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
6-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109350226
N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350268
N-(4-propan-2-ylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350192
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350185
6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 167762854
6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109346612
N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109347642
methyl 2-[[6-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109350231
N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311
6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide
CID 109346592

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109350174) is N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is O=C(Nc1ccccc1)c1cc(NCc2ccncc2)ncn1.
What is the InChIKey of N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is FVHHSMFODUKCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17(22-14-4-2-1-3-5-14)15-10-16(21-12-20-15)19-11-13-6-8-18-9-7-13/h1-10,12H,11H2,(H,22,23)(H,19,20,21).
What are the key properties of N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).