N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide

C17H15N5O — CID 109258997

IUPACN-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(NCc2cccnc2)nc1
InChIInChI=1S/C17H15N5O/c23-16(22-15-6-2-1-3-7-15)14-11-20-17(21-12-14)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,22,23)(H,19,20,21)
InChIKeyHFMPVMOWBLXTTM-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.74
Rot. Bonds5

About N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide

N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109258997) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109258997
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(NCc2cccnc2)nc1
InChIInChI=1S/C17H15N5O/c23-16(22-15-6-2-1-3-7-15)14-11-20-17(21-12-14)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,22,23)(H,19,20,21)
InChIKeyHFMPVMOWBLXTTM-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

N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259038
N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259024
N-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259037
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259097
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255447
methyl 4-[[2-(benzylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109255488
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659
(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
CID 134539198

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide (CID 109258997) is N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide is O=C(Nc1ccccc1)c1cnc(NCc2cccnc2)nc1.
What is the InChIKey of N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is HFMPVMOWBLXTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-16(22-15-6-2-1-3-7-15)14-11-20-17(21-12-14)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,22,23)(H,19,20,21).
What are the key properties of N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide?
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-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-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).