N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide

C20H27N3O — CID 109217303

IUPACN-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Nc2ccccc2C(C)C)ccn1
InChIInChI=1S/C20H27N3O/c1-14(2)9-11-22-20(24)19-13-16(10-12-21-19)23-18-8-6-5-7-17(18)15(3)4/h5-8,10,12-15H,9,11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyNVCWOQZYZCDRLF-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.72
Rot. Bonds7

About N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide

N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109217303) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109217303
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Nc2ccccc2C(C)C)ccn1
InChIInChI=1S/C20H27N3O/c1-14(2)9-11-22-20(24)19-13-16(10-12-21-19)23-18-8-6-5-7-17(18)15(3)4/h5-8,10,12-15H,9,11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyNVCWOQZYZCDRLF-UHFFFAOYSA-N
XLogP4.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325
4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202178
N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220437
4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217368
4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217326
N-(4-ethoxyphenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220430
4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217376
4-(2-ethylanilino)-N-propylpyridine-2-carboxamide
CID 109201085
N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201226
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
ethyl 4-[[2-(3-methylbutylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109217360
N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109202571

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide (CID 109217303) is N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide is CC(C)CCNC(=O)c1cc(Nc2ccccc2C(C)C)ccn1.
What is the InChIKey of N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is NVCWOQZYZCDRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14(2)9-11-22-20(24)19-13-16(10-12-21-19)23-18-8-6-5-7-17(18)15(3)4/h5-8,10,12-15H,9,11H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide?
N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109217303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).