3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide

C14H21N3O — CID 112741900

IUPAC3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCc1ccnc(C)c1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C14H21N3O/c1-9-6-7-16-10(2)13(9)17-14(18)11-4-3-5-12(15)8-11/h6-7,11-12H,3-5,8,15H2,1-2H3,(H,17,18)
InChIKeyKLTBBICBQGFKRB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.15
Rot. Bonds2

About 3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide

3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 112741900) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID112741900
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCc1ccnc(C)c1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C14H21N3O/c1-9-6-7-16-10(2)13(9)17-14(18)11-4-3-5-12(15)8-11/h6-7,11-12H,3-5,8,15H2,1-2H3,(H,17,18)
InChIKeyKLTBBICBQGFKRB-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 55146550
3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 63041984
3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119885546
3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide
CID 63041784
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 119822944
3-amino-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 63043384
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide (CID 112741900) is 3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide is Cc1ccnc(C)c1NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is KLTBBICBQGFKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-6-7-16-10(2)13(9)17-14(18)11-4-3-5-12(15)8-11/h6-7,11-12H,3-5,8,15H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide?
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112741900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).