6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C19H19N5O — CID 109350041

IUPAC6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NCc3cccnc3)ncn2)c1
InChIInChI=1S/C19H19N5O/c1-13-6-14(2)8-16(7-13)24-18-9-17(22-12-23-18)19(25)21-11-15-4-3-5-20-10-15/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyKDQACLUSPMVJFR-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.16
Rot. Bonds5

About 6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109350041) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109350041
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NCc3cccnc3)ncn2)c1
InChIInChI=1S/C19H19N5O/c1-13-6-14(2)8-16(7-13)24-18-9-17(22-12-23-18)19(25)21-11-15-4-3-5-20-10-15/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyKDQACLUSPMVJFR-UHFFFAOYSA-N
XLogP3.16
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350063
6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350032
5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191220
6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350057
6-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350052
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109341836
6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347458
6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340475
4-[[[6-(pyridin-3-ylmethylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid
CID 10222039
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109350041) is 6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C)cc(Nc2cc(C(=O)NCc3cccnc3)ncn2)c1.
What is the InChIKey of 6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is KDQACLUSPMVJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-6-14(2)8-16(7-13)24-18-9-17(22-12-23-18)19(25)21-11-15-4-3-5-20-10-15/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).