N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide

C14H21N3O2 — CID 1452758

IUPACN-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C14H21N3O2/c1-5-6-12(18)17-11-8-7-10(9-15-11)16-13(19)14(2,3)4/h7-9H,5-6H2,1-4H3,(H,16,19)(H,15,17,18)
InChIKeyFDRZVJQVMOYNBI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.80
Rot. Bonds4

About N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide

N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 1452758) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID1452758
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C14H21N3O2/c1-5-6-12(18)17-11-8-7-10(9-15-11)16-13(19)14(2,3)4/h7-9H,5-6H2,1-4H3,(H,16,19)(H,15,17,18)
InChIKeyFDRZVJQVMOYNBI-UHFFFAOYSA-N
XLogP2.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide
CID 1452729
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide
CID 113010701
N-[6-(cyclopentylamino)-3-pyridinyl]butanamide
CID 113009849
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide
CID 113011745
N-[6-(cyclohexylamino)-3-pyridinyl]butanamide
CID 113010038
N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
CID 113010443
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264

Frequently Asked Questions

What is the IUPAC name of N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide (CID 1452758) is N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide is CCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cn1.
What is the InChIKey of N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is FDRZVJQVMOYNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-5-6-12(18)17-11-8-7-10(9-15-11)16-13(19)14(2,3)4/h7-9H,5-6H2,1-4H3,(H,16,19)(H,15,17,18).
What are the key properties of N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide?
N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 1452758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).