6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide

C15H21ClN2O2 — CID 110003317

IUPAC6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCc1nc(Cl)ccc1C(=O)N(C)CC1CCCCC1O
InChIInChI=1S/C15H21ClN2O2/c1-10-12(7-8-14(16)17-10)15(20)18(2)9-11-5-3-4-6-13(11)19/h7-8,11,13,19H,3-6,9H2,1-2H3
InChIKeyVUYVBRLEEGASEH-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.67
Rot. Bonds3

About 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide

6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide (PubChem CID 110003317) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide
PubChem CID110003317
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCc1nc(Cl)ccc1C(=O)N(C)CC1CCCCC1O
InChIInChI=1S/C15H21ClN2O2/c1-10-12(7-8-14(16)17-10)15(20)18(2)9-11-5-3-4-6-13(11)19/h7-8,11,13,19H,3-6,9H2,1-2H3
InChIKeyVUYVBRLEEGASEH-UHFFFAOYSA-N
XLogP2.67
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide
CID 110003945
7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 110003775
7-fluoro-N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 109400346
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide
CID 110003642
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
CID 110003382
N-[(2-hydroxycyclopentyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 109399763
N-[(2-hydroxycyclopentyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 109399967
2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 106993969
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-phenylbenzamide
CID 109400318
3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397875
N-[(2-hydroxycyclohexyl)methyl]-N-methylisoquinoline-1-carboxamide
CID 110003844
2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide
CID 109399821

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide (CID 110003317) is 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide is Cc1nc(Cl)ccc1C(=O)N(C)CC1CCCCC1O.
What is the InChIKey of 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is VUYVBRLEEGASEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-12(7-8-14(16)17-10)15(20)18(2)9-11-5-3-4-6-13(11)19/h7-8,11,13,19H,3-6,9H2,1-2H3.
What are the key properties of 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide?
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 110003317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).