N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C17H16N6O — CID 109307168

IUPACN-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(NCc2cccnc2)n1
InChIInChI=1S/C17H16N6O/c24-16(21-11-13-3-1-6-18-9-13)15-5-8-20-17(23-15)22-12-14-4-2-7-19-10-14/h1-10H,11-12H2,(H,21,24)(H,20,22,23)
InChIKeyVTKHXBCLWVXZMM-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.81
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109307168) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109307168
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC NameN-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(NCc2cccnc2)n1
InChIInChI=1S/C17H16N6O/c24-16(21-11-13-3-1-6-18-9-13)15-5-8-20-17(23-15)22-12-14-4-2-7-19-10-14/h1-10H,11-12H2,(H,21,24)(H,20,22,23)
InChIKeyVTKHXBCLWVXZMM-UHFFFAOYSA-N
XLogP1.81
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307312
2-[(4-fluorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109305502
2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109303262
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307172
N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307236
N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109307431
N-(4-ethylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307225
2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109307362
N-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109299486
methyl 3-[[4-(pyridin-3-ylmethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109307412
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 109307168) is N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is O=C(NCc1cccnc1)c1ccnc(NCc2cccnc2)n1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is VTKHXBCLWVXZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c24-16(21-11-13-3-1-6-18-9-13)15-5-8-20-17(23-15)22-12-14-4-2-7-19-10-14/h1-10H,11-12H2,(H,21,24)(H,20,22,23).
What are the key properties of N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).