N-butyl-2-(pyridin-3-ylmethylamino)acetamide

C12H19N3O — CID 60671469

IUPACN-butyl-2-(pyridin-3-ylmethylamino)acetamide
SMILESCCCCNC(=O)CNCc1cccnc1
InChIInChI=1S/C12H19N3O/c1-2-3-7-15-12(16)10-14-9-11-5-4-6-13-8-11/h4-6,8,14H,2-3,7,9-10H2,1H3,(H,15,16)
InChIKeyLXSRVBFMTXIIFJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.09
Rot. Bonds7

About N-butyl-2-(pyridin-3-ylmethylamino)acetamide

N-butyl-2-(pyridin-3-ylmethylamino)acetamide (PubChem CID 60671469) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-butyl-2-(pyridin-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(pyridin-3-ylmethylamino)acetamide
PubChem CID60671469
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-butyl-2-(pyridin-3-ylmethylamino)acetamide
SMILESCCCCNC(=O)CNCc1cccnc1
InChIInChI=1S/C12H19N3O/c1-2-3-7-15-12(16)10-14-9-11-5-4-6-13-8-11/h4-6,8,14H,2-3,7,9-10H2,1H3,(H,15,16)
InChIKeyLXSRVBFMTXIIFJ-UHFFFAOYSA-N
XLogP1.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
N-butyl-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108957797
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
pyridin-3-ylmethyl N-butylcarbamate
CID 14002804
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
1-[(Z)-heptadec-8-enyl]-3-(pyridin-3-ylmethyl)urea
CID 71770552
3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414
oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide
CID 175652905

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(pyridin-3-ylmethylamino)acetamide?
The IUPAC name of N-butyl-2-(pyridin-3-ylmethylamino)acetamide (CID 60671469) is N-butyl-2-(pyridin-3-ylmethylamino)acetamide.
What is the SMILES notation for N-butyl-2-(pyridin-3-ylmethylamino)acetamide?
The canonical SMILES for N-butyl-2-(pyridin-3-ylmethylamino)acetamide is CCCCNC(=O)CNCc1cccnc1.
What is the InChIKey of N-butyl-2-(pyridin-3-ylmethylamino)acetamide?
The InChIKey is LXSRVBFMTXIIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-7-15-12(16)10-14-9-11-5-4-6-13-8-11/h4-6,8,14H,2-3,7,9-10H2,1H3,(H,15,16).
What are the key properties of N-butyl-2-(pyridin-3-ylmethylamino)acetamide?
N-butyl-2-(pyridin-3-ylmethylamino)acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(pyridin-3-ylmethylamino)acetamide is sourced from PubChem (CID 60671469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).