1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride

C12H19Cl2N3O — CID 119827128

IUPAC1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2ccncc2)CCCCC1
InChIInChI=1S/C12H17N3O.2ClH/c13-12(6-2-1-3-7-12)11(16)15-10-4-8-14-9-5-10;;/h4-5,8-9H,1-3,6-7,13H2,(H,14,15,16);2*1H
InChIKeyYCMFVSMEZNFENK-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.53
Rot. Bonds2

About 1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride

1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119827128) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
PubChem CID119827128
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2ccncc2)CCCCC1
InChIInChI=1S/C12H17N3O.2ClH/c13-12(6-2-1-3-7-12)11(16)15-10-4-8-14-9-5-10;;/h4-5,8-9H,1-3,6-7,13H2,(H,14,15,16);2*1H
InChIKeyYCMFVSMEZNFENK-UHFFFAOYSA-N
XLogP2.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride (CID 119827128) is 1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)Nc2ccncc2)CCCCC1.
What is the InChIKey of 1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is YCMFVSMEZNFENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2ClH/c13-12(6-2-1-3-7-12)11(16)15-10-4-8-14-9-5-10;;/h4-5,8-9H,1-3,6-7,13H2,(H,14,15,16);2*1H.
What are the key properties of 1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 292.21 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119827128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).