N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C18H17N5O — CID 109346632

IUPACN-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NCc2ccccn2)ncn1
InChIInChI=1S/C18H17N5O/c24-18(21-11-14-6-2-1-3-7-14)16-10-17(23-13-22-16)20-12-15-8-4-5-9-19-15/h1-10,13H,11-12H2,(H,21,24)(H,20,22,23)
InChIKeyBQVWLOKUBIGZOK-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.41
Rot. Bonds6

About N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109346632) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109346632
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NCc2ccccn2)ncn1
InChIInChI=1S/C18H17N5O/c24-18(21-11-14-6-2-1-3-7-14)16-10-17(23-13-22-16)20-12-15-8-4-5-9-19-15/h1-10,13H,11-12H2,(H,21,24)(H,20,22,23)
InChIKeyBQVWLOKUBIGZOK-UHFFFAOYSA-N
XLogP2.41
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109368374
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340213
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349573
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349598
6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349759
N-(2,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349686
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109340604
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349758

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109346632) is N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1cc(NCc2ccccn2)ncn1.
What is the InChIKey of N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is BQVWLOKUBIGZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(21-11-14-6-2-1-3-7-14)16-10-17(23-13-22-16)20-12-15-8-4-5-9-19-15/h1-10,13H,11-12H2,(H,21,24)(H,20,22,23).
What are the key properties of N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).