N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide

C19H25N3O — CID 113032871

IUPACN-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2c(C)cccc2C(C)C)cn1
InChIInChI=1S/C19H25N3O/c1-5-7-18(23)22-17-11-10-15(12-20-17)21-19-14(4)8-6-9-16(19)13(2)3/h6,8-13,21H,5,7H2,1-4H3,(H,20,22,23)
InChIKeyRLGUYHHYQDHXGF-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.00
Rot. Bonds6

About N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide

N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide (PubChem CID 113032871) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
PubChem CID113032871
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2c(C)cccc2C(C)C)cn1
InChIInChI=1S/C19H25N3O/c1-5-7-18(23)22-17-11-10-15(12-20-17)21-19-14(4)8-6-9-16(19)13(2)3/h6,8-13,21H,5,7H2,1-4H3,(H,20,22,23)
InChIKeyRLGUYHHYQDHXGF-UHFFFAOYSA-N
XLogP5.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
CID 113032879
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
5-(2-methyl-6-propan-2-ylanilino)-N-propylpyridine-2-carboxamide
CID 109179150
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-2-methylpropanamide
CID 113032651
methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate
CID 113036278
N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018038
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
CID 113021698
1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea
CID 113018035
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109195082
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113032265
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]pentanamide
CID 113032811

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide?
The IUPAC name of N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide (CID 113032871) is N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide.
What is the SMILES notation for N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide?
The canonical SMILES for N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide is CCCC(=O)Nc1ccc(Nc2c(C)cccc2C(C)C)cn1.
What is the InChIKey of N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide?
The InChIKey is RLGUYHHYQDHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-7-18(23)22-17-11-10-15(12-20-17)21-19-14(4)8-6-9-16(19)13(2)3/h6,8-13,21H,5,7H2,1-4H3,(H,20,22,23).
What are the key properties of N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide?
N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide is sourced from PubChem (CID 113032871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).