N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide

C23H25N3O2 — CID 109170258

IUPACN-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C23H25N3O2/c1-17(2)28-21-12-8-7-11-20(21)25-22-15-19(13-14-24-22)23(27)26(3)16-18-9-5-4-6-10-18/h4-15,17H,16H2,1-3H3,(H,24,25)
InChIKeyOHLYFFZQFVEORJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.88
Rot. Bonds7

About N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide

N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide (PubChem CID 109170258) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
PubChem CID109170258
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C23H25N3O2/c1-17(2)28-21-12-8-7-11-20(21)25-22-15-19(13-14-24-22)23(27)26(3)16-18-9-5-4-6-10-18/h4-15,17H,16H2,1-3H3,(H,24,25)
InChIKeyOHLYFFZQFVEORJ-UHFFFAOYSA-N
XLogP4.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
CID 109170260
N-(2-methoxyphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109177874
N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109178282
2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109174876
4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168877
N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide
CID 109170226
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237
2-(2-ethoxyanilino)-N,N-diethylpyridine-4-carboxamide
CID 109174723
N-benzyl-2-iodo-N-methylpyridine-4-carboxamide
CID 141379773
N-(3-phenylpropyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353608
N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide
CID 109171538
(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175650

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide (CID 109170258) is N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide is CC(C)Oc1ccccc1Nc1cc(C(=O)N(C)Cc2ccccc2)ccn1.
What is the InChIKey of N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide?
The InChIKey is OHLYFFZQFVEORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(2)28-21-12-8-7-11-20(21)25-22-15-19(13-14-24-22)23(27)26(3)16-18-9-5-4-6-10-18/h4-15,17H,16H2,1-3H3,(H,24,25).
What are the key properties of N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide?
N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109170258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).