2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide

C16H23ClN2O2 — CID 106120801

IUPAC2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCC2CCCC(O)C2)cc(Cl)n1
InChIInChI=1S/C16H23ClN2O2/c1-2-4-13-8-12(9-15(17)19-13)16(21)18-10-11-5-3-6-14(20)7-11/h8-9,11,14,20H,2-7,10H2,1H3,(H,18,21)
InChIKeyRHRDPBYCFZASTP-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.97
Rot. Bonds5

About 2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide

2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide (PubChem CID 106120801) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide
PubChem CID106120801
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCC2CCCC(O)C2)cc(Cl)n1
InChIInChI=1S/C16H23ClN2O2/c1-2-4-13-8-12(9-15(17)19-13)16(21)18-10-11-5-3-6-14(20)7-11/h8-9,11,14,20H,2-7,10H2,1H3,(H,18,21)
InChIKeyRHRDPBYCFZASTP-UHFFFAOYSA-N
XLogP2.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.97
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-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106120872
2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66004828
2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid
CID 106136570
2-amino-N-(cyclopropylmethyl)-6-propylpyridine-4-carboxamide
CID 113380957
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide
CID 114629350
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide
CID 114107737
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 113379822
(2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104967300

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide (CID 106120801) is 2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NCC2CCCC(O)C2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide?
The InChIKey is RHRDPBYCFZASTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-4-13-8-12(9-15(17)19-13)16(21)18-10-11-5-3-6-14(20)7-11/h8-9,11,14,20H,2-7,10H2,1H3,(H,18,21).
What are the key properties of 2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide?
2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 106120801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).