5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide

C12H16ClN3O2 — CID 114089621

IUPAC5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide
SMILESNc1cnc(Cl)cc1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H16ClN3O2/c13-11-5-7(8(14)6-15-11)12(18)16-9-3-1-2-4-10(9)17/h5-6,9-10,17H,1-4,14H2,(H,16,18)/t9-,10-/m0/s1
InChIKeyRPJKKEPRNMXHPT-UWVGGRQHSA-N
MW269.73 g/mol
LogP1.35
Rot. Bonds2

About 5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide

5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide (PubChem CID 114089621) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide
PubChem CID114089621
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide
SMILESNc1cnc(Cl)cc1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H16ClN3O2/c13-11-5-7(8(14)6-15-11)12(18)16-9-3-1-2-4-10(9)17/h5-6,9-10,17H,1-4,14H2,(H,16,18)/t9-,10-/m0/s1
InChIKeyRPJKKEPRNMXHPT-UWVGGRQHSA-N
XLogP1.35
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-nitropyridine-4-carboxamide
CID 104957413
2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62359305
5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 94415434
2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
CID 62366282
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106119006
5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102705498
4-amino-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 156880832
2-amino-4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107221910
5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide
CID 113394881
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide
CID 106687172
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104927278

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide (CID 114089621) is 5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide is Nc1cnc(Cl)cc1C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide?
The InChIKey is RPJKKEPRNMXHPT-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-5-7(8(14)6-15-11)12(18)16-9-3-1-2-4-10(9)17/h5-6,9-10,17H,1-4,14H2,(H,16,18)/t9-,10-/m0/s1.
What are the key properties of 5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide?
5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 114089621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).