6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C18H17N5O — CID 109350032

IUPAC6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NCc2cccnc2)ncn1
InChIInChI=1S/C18H17N5O/c1-13-5-2-3-7-15(13)23-17-9-16(21-12-22-17)18(24)20-11-14-6-4-8-19-10-14/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyWSDSQYIGUDICSE-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.85
Rot. Bonds5

About 6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109350032) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109350032
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NCc2cccnc2)ncn1
InChIInChI=1S/C18H17N5O/c1-13-5-2-3-7-15(13)23-17-9-16(21-12-22-17)18(24)20-11-14-6-4-8-19-10-14/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyWSDSQYIGUDICSE-UHFFFAOYSA-N
XLogP2.85
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350057
2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371117
6-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350052
6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350041
4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109212998
6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350063
6-(2,3-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347442
6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109341836
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371157
6-(5-chloro-2-methylanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371146
6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121140
N-(2-chlorophenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109349914

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109350032) is 6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is Cc1ccccc1Nc1cc(C(=O)NCc2cccnc2)ncn1.
What is the InChIKey of 6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is WSDSQYIGUDICSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-5-2-3-7-15(13)23-17-9-16(21-12-22-17)18(24)20-11-14-6-4-8-19-10-14/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).