1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide

C13H18ClN3O — CID 64550053

IUPAC1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C13H18ClN3O/c1-9-3-2-6-13(15,7-9)12(18)17-11-5-4-10(14)8-16-11/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,16,17,18)
InChIKeyVZALSOISCONWEZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.58
Rot. Bonds2

About 1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 64550053) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide
PubChem CID64550053
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C13H18ClN3O/c1-9-3-2-6-13(15,7-9)12(18)17-11-5-4-10(14)8-16-11/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,16,17,18)
InChIKeyVZALSOISCONWEZ-UHFFFAOYSA-N
XLogP2.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid
CID 64555277
1-amino-3-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 64549838
1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide
CID 64552972
2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid
CID 107341108
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide
CID 64551233
1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide
CID 64550871
1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
CID 64555084
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-cyclopentyl-3-methylcyclohexane-1-carboxamide
CID 64548983
1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793
N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide
CID 2848364
2-(1-aminocyclopentyl)-N-(5-chloro-2-pyridinyl)acetamide
CID 64684760

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide (CID 64550053) is 1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of 1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is VZALSOISCONWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9-3-2-6-13(15,7-9)12(18)17-11-5-4-10(14)8-16-11/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,16,17,18).
What are the key properties of 1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64550053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).