N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide

C17H21N3O — CID 109201582

IUPACN-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(NC(C)C)ccn2)c1
InChIInChI=1S/C17H21N3O/c1-11(2)19-14-5-6-18-16(10-14)17(21)20-15-8-12(3)7-13(4)9-15/h5-11H,1-4H3,(H,18,19)(H,20,21)
InChIKeyBPNMSOOHSMAASH-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.77
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide

N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 109201582) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID109201582
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(NC(C)C)ccn2)c1
InChIInChI=1S/C17H21N3O/c1-11(2)19-14-5-6-18-16(10-14)17(21)20-15-8-12(3)7-13(4)9-15/h5-11H,1-4H3,(H,18,19)(H,20,21)
InChIKeyBPNMSOOHSMAASH-UHFFFAOYSA-N
XLogP3.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109201591
N-(2-chloro-4,6-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201606
N-(4-fluorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201597
2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078108
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
N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201602
4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219210
N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201642
N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109497
N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201594
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219981

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide (CID 109201582) is N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(NC(C)C)ccn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is BPNMSOOHSMAASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(2)19-14-5-6-18-16(10-14)17(21)20-15-8-12(3)7-13(4)9-15/h5-11H,1-4H3,(H,18,19)(H,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).