1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide

C12H17N3O — CID 115453576

IUPAC1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(CN)CC1)c1cccnc1
InChIInChI=1S/C12H17N3O/c1-9(10-3-2-6-14-7-10)15-11(16)12(8-13)4-5-12/h2-3,6-7,9H,4-5,8,13H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyBGDAUOQTIHGNAI-VIFPVBQESA-N
MW219.29 g/mol
LogP1.00
Rot. Bonds4

About 1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide (PubChem CID 115453576) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
PubChem CID115453576
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(CN)CC1)c1cccnc1
InChIInChI=1S/C12H17N3O/c1-9(10-3-2-6-14-7-10)15-11(16)12(8-13)4-5-12/h2-3,6-7,9H,4-5,8,13H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyBGDAUOQTIHGNAI-VIFPVBQESA-N
XLogP1.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 63127602
3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide
CID 81404117
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559
2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 104678520
1-(1-pyridin-3-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095230
2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81405144
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
2-(1-aminocyclohexyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404106
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 115452527
2-ethyl-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 83080528

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide (CID 115453576) is 1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)C1(CN)CC1)c1cccnc1.
What is the InChIKey of 1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide?
The InChIKey is BGDAUOQTIHGNAI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(10-3-2-6-14-7-10)15-11(16)12(8-13)4-5-12/h2-3,6-7,9H,4-5,8,13H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115453576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).