2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

C19H16N6O — CID 44520968

IUPAC2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1cc(-c2ccccc2C#N)nc(N)n1
InChIInChI=1S/C19H16N6O/c1-12-5-4-8-22-17(12)11-23-18(26)16-9-15(24-19(21)25-16)14-7-3-2-6-13(14)10-20/h2-9H,11H2,1H3,(H,23,26)(H2,21,24,25)
InChIKeyHRZQUYPTNWLNOJ-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.23
Rot. Bonds4

About 2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (PubChem CID 44520968) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
PubChem CID44520968
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1cc(-c2ccccc2C#N)nc(N)n1
InChIInChI=1S/C19H16N6O/c1-12-5-4-8-22-17(12)11-23-18(26)16-9-15(24-19(21)25-16)14-7-3-2-6-13(14)10-20/h2-9H,11H2,1H3,(H,23,26)(H2,21,24,25)
InChIKeyHRZQUYPTNWLNOJ-UHFFFAOYSA-N
XLogP2.23
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Mocetinostat
CID 9865515
Jnk-IN-7
CID 57340685
N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
CID 5289109
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
4-Pyrimidinecarboxamide,2-amino-6-(3-cyanophenyl)-n-(2-pyridinylmethyl)-
CID 11427490
(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 16726085
2-(2-aminopyrimidin-4-yl)-1-benzyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190899
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942
Pyrimidine-4-carboxamide, 65
CID 44520946

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (CID 44520968) is 2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is Cc1cccnc1CNC(=O)c1cc(-c2ccccc2C#N)nc(N)n1.
What is the InChIKey of 2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is HRZQUYPTNWLNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-12-5-4-8-22-17(12)11-23-18(26)16-9-15(24-19(21)25-16)14-7-3-2-6-13(14)10-20/h2-9H,11H2,1H3,(H,23,26)(H2,21,24,25).
What are the key properties of 2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(2-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.23, 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-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 44520968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).