2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide

C12H16ClN3O — CID 64822363

IUPAC2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C12H16ClN3O/c13-11-10(6-3-7-15-11)16-12(17)8-4-1-2-5-9(8)14/h3,6-9H,1-2,4-5,14H2,(H,16,17)
InChIKeyBYALBLUULCTBRE-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.19
Rot. Bonds2

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

2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 64822363) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID64822363
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C12H16ClN3O/c13-11-10(6-3-7-15-11)16-12(17)8-4-1-2-5-9(8)14/h3,6-9H,1-2,4-5,14H2,(H,16,17)
InChIKeyBYALBLUULCTBRE-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-quinolin-5-ylcyclohexane-1-carboxamide
CID 64817918
2-amino-N-(2-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64852235
2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 64822462
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
(1R,2S,4S)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40605958
2-amino-N-(2-methylphenyl)cyclopentane-1-carboxamide
CID 64818336
2-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 64824088
(1S,6R)-6-[(2-chloro-3-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93174037
N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 79388659
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852
2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 64817565
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide (CID 64822363) is 2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide is NC1CCCCC1C(=O)Nc1cccnc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is BYALBLUULCTBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-11-10(6-3-7-15-11)16-12(17)8-4-1-2-5-9(8)14/h3,6-9H,1-2,4-5,14H2,(H,16,17).
What are the key properties of 2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide?
2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64822363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).