3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride

C13H21Cl2N3O — CID 119863798

IUPAC3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESC[C@H](NC(=O)C1CCC(N)C1)c1cccnc1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-9(11-3-2-6-15-8-11)16-13(17)10-4-5-12(14)7-10;;/h2-3,6,8-10,12H,4-5,7,14H2,1H3,(H,16,17);2*1H/t9-,10?,12?;;/m0../s1
InChIKeyPJJXQPNOORSSGS-TVUGDJQASA-N
MW306.24 g/mol
LogP2.23
Rot. Bonds3

About 3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119863798) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119863798
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESC[C@H](NC(=O)C1CCC(N)C1)c1cccnc1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-9(11-3-2-6-15-8-11)16-13(17)10-4-5-12(14)7-10;;/h2-3,6,8-10,12H,4-5,7,14H2,1H3,(H,16,17);2*1H/t9-,10?,12?;;/m0../s1
InChIKeyPJJXQPNOORSSGS-TVUGDJQASA-N
XLogP2.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724
N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81405077
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376252
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
CID 81406551
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 106212734
3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407435
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119863798) is 3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride is C[C@H](NC(=O)C1CCC(N)C1)c1cccnc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is PJJXQPNOORSSGS-TVUGDJQASA-N. The full InChI is InChI=1S/C13H19N3O.2ClH/c1-9(11-3-2-6-15-8-11)16-13(17)10-4-5-12(14)7-10;;/h2-3,6,8-10,12H,4-5,7,14H2,1H3,(H,16,17);2*1H/t9-,10?,12?;;/m0../s1.
What are the key properties of 3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 306.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119863798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).