3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride

C16H23Cl2N5O — CID 119846913

IUPAC3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCc2ccnc(-n3cccn3)c2)C1
InChIInChI=1S/C16H21N5O.2ClH/c17-14-4-1-3-13(10-14)16(22)19-11-12-5-7-18-15(9-12)21-8-2-6-20-21;;/h2,5-9,13-14H,1,3-4,10-11,17H2,(H,19,22);2*1H
InChIKeyMWZGYQIXBHRHCA-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.24
Rot. Bonds4

About 3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119846913) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is 3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119846913
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCc2ccnc(-n3cccn3)c2)C1
InChIInChI=1S/C16H21N5O.2ClH/c17-14-4-1-3-13(10-14)16(22)19-11-12-5-7-18-15(9-12)21-8-2-6-20-21;;/h2,5-9,13-14H,1,3-4,10-11,17H2,(H,19,22);2*1H
InChIKeyMWZGYQIXBHRHCA-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632675
(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide
CID 51943461
1-cyclopentyl-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55636175
(2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120797953
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119781706
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119846941
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119846944
1-(2-nitrophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 55619983
(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 94030798
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119846913) is 3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)NCc2ccnc(-n3cccn3)c2)C1.
What is the InChIKey of 3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is MWZGYQIXBHRHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c17-14-4-1-3-13(10-14)16(22)19-11-12-5-7-18-15(9-12)21-8-2-6-20-21;;/h2,5-9,13-14H,1,3-4,10-11,17H2,(H,19,22);2*1H.
What are the key properties of 3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119846913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).