2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C19H19N5O — CID 109307651

IUPAC2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)NCc3ccncc3)n2)c1C
InChIInChI=1S/C19H19N5O/c1-13-4-3-5-16(14(13)2)23-19-21-11-8-17(24-19)18(25)22-12-15-6-9-20-10-7-15/h3-11H,12H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyQKPWNNAUWPDHDP-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.16
Rot. Bonds5

About 2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109307651) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109307651
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)NCc3ccncc3)n2)c1C
InChIInChI=1S/C19H19N5O/c1-13-4-3-5-16(14(13)2)23-19-21-11-8-17(24-19)18(25)22-12-15-6-9-20-10-7-15/h3-11H,12H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyQKPWNNAUWPDHDP-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 ≤ 500333.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307652
2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307649
N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109311332
2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
N-(2-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307498
2-(4-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307662
N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305166
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307676
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
N-(3,4-difluorophenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315452
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305549

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 109307651) is 2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is Cc1cccc(Nc2nccc(C(=O)NCc3ccncc3)n2)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is QKPWNNAUWPDHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-4-3-5-16(14(13)2)23-19-21-11-8-17(24-19)18(25)22-12-15-6-9-20-10-7-15/h3-11H,12H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 333.39 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 2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).