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

C19H16N6O — CID 44520969

IUPAC2-amino-6-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1cc(-c2cccc(C#N)c2)nc(N)n1
InChIInChI=1S/C19H16N6O/c1-12-4-3-7-22-17(12)11-23-18(26)16-9-15(24-19(21)25-16)14-6-2-5-13(8-14)10-20/h2-9H,11H2,1H3,(H,23,26)(H2,21,24,25)
InChIKeyJUZVEXMCTHOVQC-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.23
Rot. Bonds4

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

2-amino-6-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (PubChem CID 44520969) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-amino-6-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
PubChem CID44520969
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name2-amino-6-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1cc(-c2cccc(C#N)c2)nc(N)n1
InChIInChI=1S/C19H16N6O/c1-12-4-3-7-22-17(12)11-23-18(26)16-9-15(24-19(21)25-16)14-6-2-5-13(8-14)10-20/h2-9H,11H2,1H3,(H,23,26)(H2,21,24,25)
InChIKeyJUZVEXMCTHOVQC-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (CID 44520969) is 2-amino-6-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is Cc1cccnc1CNC(=O)c1cc(-c2cccc(C#N)c2)nc(N)n1.
What is the InChIKey of 2-amino-6-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is JUZVEXMCTHOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-12-4-3-7-22-17(12)11-23-18(26)16-9-15(24-19(21)25-16)14-6-2-5-13(8-14)10-20/h2-9H,11H2,1H3,(H,23,26)(H2,21,24,25).
What are the key properties of 2-amino-6-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(3-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-(3-cyanophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 44520969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).