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

C17H29Cl2N3O — CID 119885546

IUPAC3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCc1cccnc1C(NC(=O)C1CCCC(N)C1)C(C)C.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-11(2)15(16-12(3)6-5-9-19-16)20-17(21)13-7-4-8-14(18)10-13;;/h5-6,9,11,13-15H,4,7-8,10,18H2,1-3H3,(H,20,21);2*1H
InChIKeyZGNCCWFBWOXVGC-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.56
Rot. Bonds4

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

3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119885546) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119885546
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCc1cccnc1C(NC(=O)C1CCCC(N)C1)C(C)C.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-11(2)15(16-12(3)6-5-9-19-16)20-17(21)13-7-4-8-14(18)10-13;;/h5-6,9,11,13-15H,4,7-8,10,18H2,1-3H3,(H,20,21);2*1H
InChIKeyZGNCCWFBWOXVGC-UHFFFAOYSA-N
XLogP3.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate
CID 96550280
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900
3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119745976
3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119885548
3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119895790
(2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95769801
1-(1-adamantyl)-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 99808511
3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 63043944
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111631045
3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407435
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953880

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119885546) is 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride is Cc1cccnc1C(NC(=O)C1CCCC(N)C1)C(C)C.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is ZGNCCWFBWOXVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-11(2)15(16-12(3)6-5-9-19-16)20-17(21)13-7-4-8-14(18)10-13;;/h5-6,9,11,13-15H,4,7-8,10,18H2,1-3H3,(H,20,21);2*1H.
What are the key properties of 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119885546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).