N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

C15H23N3O — CID 107000128

IUPACN-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)N(CCCN)Cc1cccnc1
InChIInChI=1S/C15H23N3O/c1-15(2)9-13(15)14(19)18(8-4-6-16)11-12-5-3-7-17-10-12/h3,5,7,10,13H,4,6,8-9,11,16H2,1-2H3
InChIKeyBYQSBJPLLJSWQN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.81
Rot. Bonds6

About N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 107000128) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID107000128
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)N(CCCN)Cc1cccnc1
InChIInChI=1S/C15H23N3O/c1-15(2)9-13(15)14(19)18(8-4-6-16)11-12-5-3-7-17-10-12/h3,5,7,10,13H,4,6,8-9,11,16H2,1-2H3
InChIKeyBYQSBJPLLJSWQN-UHFFFAOYSA-N
XLogP1.81
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
CID 107366064
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 79160812
N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)spiro[2.2]pentane-2-carboxamide
CID 119069459
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
CID 120648074
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825
(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 104901002
2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 104872228
N-(3-amino-3-sulfanylidenepropyl)-N-(pyridin-3-ylmethyl)thiane-2-carboxamide
CID 80587184
N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477971

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (CID 107000128) is N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is CC1(C)CC1C(=O)N(CCCN)Cc1cccnc1.
What is the InChIKey of N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is BYQSBJPLLJSWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)9-13(15)14(19)18(8-4-6-16)11-12-5-3-7-17-10-12/h3,5,7,10,13H,4,6,8-9,11,16H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 107000128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).