1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride

C16H23Cl2N5O — CID 119848271

IUPAC1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCc1nccn1-c1ccc(CNC(=O)C2(N)CCCC2)cn1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-12-18-8-9-21(12)14-5-4-13(10-19-14)11-20-15(22)16(17)6-2-3-7-16;;/h4-5,8-10H,2-3,6-7,11,17H2,1H3,(H,20,22);2*1H
InChIKeyKEJIDTRXRVYTKY-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.31
Rot. Bonds4

About 1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119848271) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119848271
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCc1nccn1-c1ccc(CNC(=O)C2(N)CCCC2)cn1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-12-18-8-9-21(12)14-5-4-13(10-19-14)11-20-15(22)16(17)6-2-3-7-16;;/h4-5,8-10H,2-3,6-7,11,17H2,1H3,(H,20,22);2*1H
InChIKeyKEJIDTRXRVYTKY-UHFFFAOYSA-N
XLogP2.31
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
1-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119863330
1-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119863331
1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide
CID 81179873
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 56818547
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 119848280
N',3,3-trimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111738840
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)acetamide
CID 87023045
2-methyl-1-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclopentyl)methyl]guanidine
CID 111852666
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 87023039

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119848271) is 1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride is Cc1nccn1-c1ccc(CNC(=O)C2(N)CCCC2)cn1.Cl.Cl.
What is the InChIKey of 1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is KEJIDTRXRVYTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c1-12-18-8-9-21(12)14-5-4-13(10-19-14)11-20-15(22)16(17)6-2-3-7-16;;/h4-5,8-10H,2-3,6-7,11,17H2,1H3,(H,20,22);2*1H.
What are the key properties of 1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119848271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).