N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide

C19H25N3O — CID 109188286

IUPACN-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1ccccc1CNc1ccc(C(=O)NCCC(C)C)nc1
InChIInChI=1S/C19H25N3O/c1-14(2)10-11-20-19(23)18-9-8-17(13-22-18)21-12-16-7-5-4-6-15(16)3/h4-9,13-14,21H,10-12H2,1-3H3,(H,20,23)
InChIKeyKFGMMZBECILYAW-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.78
Rot. Bonds7

About N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide

N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109188286) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109188286
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1ccccc1CNc1ccc(C(=O)NCCC(C)C)nc1
InChIInChI=1S/C19H25N3O/c1-14(2)10-11-20-19(23)18-9-8-17(13-22-18)21-12-16-7-5-4-6-15(16)3/h4-9,13-14,21H,10-12H2,1-3H3,(H,20,23)
InChIKeyKFGMMZBECILYAW-UHFFFAOYSA-N
XLogP3.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxypropyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109184207
N-[2-(4-fluorophenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188263
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109181602
5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195520
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109188310
N-(3-chloro-4-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188320
5-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641754
5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109180889
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188308
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188265
5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109190476
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide (CID 109188286) is N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide is Cc1ccccc1CNc1ccc(C(=O)NCCC(C)C)nc1.
What is the InChIKey of N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is KFGMMZBECILYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(2)10-11-20-19(23)18-9-8-17(13-22-18)21-12-16-7-5-4-6-15(16)3/h4-9,13-14,21H,10-12H2,1-3H3,(H,20,23).
What are the key properties of N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109188286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).