4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide

C18H23N3O — CID 109201591

IUPAC4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(NC(C)C)ccn2)c(C)c1
InChIInChI=1S/C18H23N3O/c1-11(2)20-15-6-7-19-16(10-15)18(22)21-17-13(4)8-12(3)9-14(17)5/h6-11H,1-5H3,(H,19,20)(H,21,22)
InChIKeyTXJHXSWKROVLGT-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.08
Rot. Bonds4

About 4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide

4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide (PubChem CID 109201591) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
PubChem CID109201591
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(NC(C)C)ccn2)c(C)c1
InChIInChI=1S/C18H23N3O/c1-11(2)20-15-6-7-19-16(10-15)18(22)21-17-13(4)8-12(3)9-14(17)5/h6-11H,1-5H3,(H,19,20)(H,21,22)
InChIKeyTXJHXSWKROVLGT-UHFFFAOYSA-N
XLogP4.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201606
N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201582
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109203542
4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109218850
N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201602
N-(4-fluorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201597
N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210807
N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204288
N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201674
N-(2,4-dichlorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201663
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide (CID 109201591) is 4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide is Cc1cc(C)c(NC(=O)c2cc(NC(C)C)ccn2)c(C)c1.
What is the InChIKey of 4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
The InChIKey is TXJHXSWKROVLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-11(2)20-15-6-7-19-16(10-15)18(22)21-17-13(4)8-12(3)9-14(17)5/h6-11H,1-5H3,(H,19,20)(H,21,22).
What are the key properties of 4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?
4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109201591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).