N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide

C17H21N3O2 — CID 109203359

IUPACN-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(OC)cc2)ccn1
InChIInChI=1S/C17H21N3O2/c1-4-12(2)19-17(21)16-11-14(9-10-18-16)20-13-5-7-15(22-3)8-6-13/h5-12H,4H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyQEWUOAXVUUJDOL-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.36
Rot. Bonds6

About N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide

N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide (PubChem CID 109203359) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
PubChem CID109203359
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(OC)cc2)ccn1
InChIInChI=1S/C17H21N3O2/c1-4-12(2)19-17(21)16-11-14(9-10-18-16)20-13-5-7-15(22-3)8-6-13/h5-12H,4H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyQEWUOAXVUUJDOL-UHFFFAOYSA-N
XLogP3.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109203336
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109203383
N-(4-methoxyphenyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109221648
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109321493
4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109203453
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109203369
N-butan-2-yl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109080205
N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide
CID 109203407
N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109203420
4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109203465

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide (CID 109203359) is N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccc(OC)cc2)ccn1.
What is the InChIKey of N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide?
The InChIKey is QEWUOAXVUUJDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-12(2)19-17(21)16-11-14(9-10-18-16)20-13-5-7-15(22-3)8-6-13/h5-12H,4H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide?
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109203359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).