2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide

C15H23N3O — CID 104872228

IUPAC2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCCCNCc1cccnc1
InChIInChI=1S/C15H23N3O/c1-15(2)9-13(15)14(19)18-8-4-7-17-11-12-5-3-6-16-10-12/h3,5-6,10,13,17H,4,7-9,11H2,1-2H3,(H,18,19)
InChIKeyGKELRWOBKVOZJS-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.72
Rot. Bonds7

About 2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide

2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide (PubChem CID 104872228) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
PubChem CID104872228
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCCCNCc1cccnc1
InChIInChI=1S/C15H23N3O/c1-15(2)9-13(15)14(19)18-8-4-7-17-11-12-5-3-6-16-10-12/h3,5-6,10,13,17H,4,7-9,11H2,1-2H3,(H,18,19)
InChIKeyGKELRWOBKVOZJS-UHFFFAOYSA-N
XLogP1.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.72
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

3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 86779908
1,1-dioxo-N-[3-(pyridin-3-ylmethylamino)propyl]thiolane-3-carboxamide
CID 43600587
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
CID 43600543
(1S)-N-[3-(pyridin-3-ylmethylamino)propyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 99585972
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 43600549
4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide
CID 66335871
2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
CID 86779912
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
(1R)-2,2-diphenyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 683234
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide (CID 104872228) is 2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide is CC1(C)CC1C(=O)NCCCNCc1cccnc1.
What is the InChIKey of 2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide?
The InChIKey is GKELRWOBKVOZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)9-13(15)14(19)18-8-4-7-17-11-12-5-3-6-16-10-12/h3,5-6,10,13,17H,4,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of 2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide?
2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 104872228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).