2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide

C18H23N3O — CID 113032752

IUPAC2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C18H23N3O/c1-12(2)14-5-7-15(8-6-14)20-16-9-10-17(19-11-16)21-18(22)13(3)4/h5-13,20H,1-4H3,(H,19,21,22)
InChIKeyXQMGRSKSHQWHJA-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.54
Rot. Bonds5

About 2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide

2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide (PubChem CID 113032752) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide
PubChem CID113032752
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C18H23N3O/c1-12(2)14-5-7-15(8-6-14)20-16-9-10-17(19-11-16)21-18(22)13(3)4/h5-13,20H,1-4H3,(H,19,21,22)
InChIKeyXQMGRSKSHQWHJA-UHFFFAOYSA-N
XLogP4.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033078
3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032755
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033749
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032758
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-2-methylpropanamide
CID 113032651
2-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026479
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853
N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017854
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanamide
CID 82343659
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide (CID 113032752) is 2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide is CC(C)C(=O)Nc1ccc(Nc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide?
The InChIKey is XQMGRSKSHQWHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(2)14-5-7-15(8-6-14)20-16-9-10-17(19-11-16)21-18(22)13(3)4/h5-13,20H,1-4H3,(H,19,21,22).
What are the key properties of 2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide?
2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide has a molecular weight of 297.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide is sourced from PubChem (CID 113032752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).