N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide

C13H22N4O — CID 113010701

IUPACN-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCCN(C)C)nc1
InChIInChI=1S/C13H22N4O/c1-4-5-13(18)16-11-6-7-12(15-10-11)14-8-9-17(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyJBUPYGZWEVKPFS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.79
Rot. Bonds7

About N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide

N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide (PubChem CID 113010701) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide
PubChem CID113010701
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCCN(C)C)nc1
InChIInChI=1S/C13H22N4O/c1-4-5-13(18)16-11-6-7-12(15-10-11)14-8-9-17(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyJBUPYGZWEVKPFS-UHFFFAOYSA-N
XLogP1.79
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]pentanamide
CID 113025485
ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
CID 113010767
N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
CID 113010443
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113010772
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide
CID 113013351
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide
CID 113011745
4-oxo-4-[[6-(pentylamino)-3-pyridinyl]amino]butanoic acid
CID 39178036
N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 1452758
2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010719
N-[6-(3-methylbutylamino)-3-pyridinyl]pentanamide
CID 113015062

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide?
The IUPAC name of N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide (CID 113010701) is N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide.
What is the SMILES notation for N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide?
The canonical SMILES for N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(NCCN(C)C)nc1.
What is the InChIKey of N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide?
The InChIKey is JBUPYGZWEVKPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-13(18)16-11-6-7-12(15-10-11)14-8-9-17(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,15)(H,16,18).
What are the key properties of N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide?
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide is sourced from PubChem (CID 113010701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).