2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C18H14N6O — CID 44520955

IUPAC2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1
InChIInChI=1S/C18H14N6O/c19-10-12-5-1-2-7-14(12)15-9-16(24-18(20)23-15)17(25)22-11-13-6-3-4-8-21-13/h1-9H,11H2,(H,22,25)(H2,20,23,24)
InChIKeyOIVQQVIEMBGOIS-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 44520955) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID44520955
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1
InChIInChI=1S/C18H14N6O/c19-10-12-5-1-2-7-14(12)15-9-16(24-18(20)23-15)17(25)22-11-13-6-3-4-8-21-13/h1-9H,11H2,(H,22,25)(H2,20,23,24)
InChIKeyOIVQQVIEMBGOIS-UHFFFAOYSA-N
XLogP1.92
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 44520953
2-N-(2-cyanophenyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087198
2-amino-6-(2-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
CID 44520959
5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235050
2-cyano-N-(pyridin-2-ylmethyl)acetamide
CID 2799775
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
(E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 36714034
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619
3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023302
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 44520955) is 2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is N#Cc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1.
What is the InChIKey of 2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is OIVQQVIEMBGOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c19-10-12-5-1-2-7-14(12)15-9-16(24-18(20)23-15)17(25)22-11-13-6-3-4-8-21-13/h1-9H,11H2,(H,22,25)(H2,20,23,24).
What are the key properties of 2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).