1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride

C15H21Cl2N5O — CID 119842780

IUPAC1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2ccc(-n3cccn3)nc2)CCCCC1
InChIInChI=1S/C15H19N5O.2ClH/c16-15(7-2-1-3-8-15)14(21)19-12-5-6-13(17-11-12)20-10-4-9-18-20;;/h4-6,9-11H,1-3,7-8,16H2,(H,19,21);2*1H
InChIKeyRATFMWYDJASUJO-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.71
Rot. Bonds3

About 1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119842780) has the molecular formula C15H21Cl2N5O and a molecular weight of 358.27 g/mol. Its IUPAC name is 1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119842780
Molecular FormulaC15H21Cl2N5O
Molecular Weight358.27 g/mol
Exact Mass357.11
IUPAC Name1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2ccc(-n3cccn3)nc2)CCCCC1
InChIInChI=1S/C15H19N5O.2ClH/c16-15(7-2-1-3-8-15)14(21)19-12-5-6-13(17-11-12)20-10-4-9-18-20;;/h4-6,9-11H,1-3,7-8,16H2,(H,19,21);2*1H
InChIKeyRATFMWYDJASUJO-UHFFFAOYSA-N
XLogP2.71
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 47153389
1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide
CID 81179873
1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119848681
4-ethyl-N-(6-pyrazol-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 146131318
1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879397
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate
CID 166228956
1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide
CID 119879398
1-amino-N-(6-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
CID 103794921
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
4-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60849056

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride (CID 119842780) is 1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)Nc2ccc(-n3cccn3)nc2)CCCCC1.
What is the InChIKey of 1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is RATFMWYDJASUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.2ClH/c16-15(7-2-1-3-8-15)14(21)19-12-5-6-13(17-11-12)20-10-4-9-18-20;;/h4-6,9-11H,1-3,7-8,16H2,(H,19,21);2*1H.
What are the key properties of 1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119842780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).