N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide

C18H23N3O — CID 109225020

IUPACN-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(NCC(C)C)c1
InChIInChI=1S/C18H23N3O/c1-4-14-7-5-6-8-17(14)21-18(22)15-9-16(12-19-11-15)20-10-13(2)3/h5-9,11-13,20H,4,10H2,1-3H3,(H,21,22)
InChIKeyIZHWRQKUQSTMQH-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.96
Rot. Bonds6

About N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide

N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide (PubChem CID 109225020) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
PubChem CID109225020
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(NCC(C)C)c1
InChIInChI=1S/C18H23N3O/c1-4-14-7-5-6-8-17(14)21-18(22)15-9-16(12-19-11-15)20-10-13(2)3/h5-9,11-13,20H,4,10H2,1-3H3,(H,21,22)
InChIKeyIZHWRQKUQSTMQH-UHFFFAOYSA-N
XLogP3.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225036
N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235401
5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109234109
N-(2-ethylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231536
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923
N-(2-ethylphenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203139
5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242952
N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239217
5-(2,5-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242839
N-(2-ethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229652
N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225107

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide (CID 109225020) is N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide is CCc1ccccc1NC(=O)c1cncc(NCC(C)C)c1.
What is the InChIKey of N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The InChIKey is IZHWRQKUQSTMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-14-7-5-6-8-17(14)21-18(22)15-9-16(12-19-11-15)20-10-13(2)3/h5-9,11-13,20H,4,10H2,1-3H3,(H,21,22).
What are the key properties of N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109225020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).