N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide

C14H20ClN3O2 — CID 102636426

IUPACN-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccnc1Cl)C1CCCCC1O
InChIInChI=1S/C14H20ClN3O2/c1-18(11-6-2-3-7-12(11)19)9-13(20)17-10-5-4-8-16-14(10)15/h4-5,8,11-12,19H,2-3,6-7,9H2,1H3,(H,17,20)
InChIKeyCFPXBEOWFDJDFN-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.91
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide

N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide (PubChem CID 102636426) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
PubChem CID102636426
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccnc1Cl)C1CCCCC1O
InChIInChI=1S/C14H20ClN3O2/c1-18(11-6-2-3-7-12(11)19)9-13(20)17-10-5-4-8-16-14(10)15/h4-5,8,11-12,19H,2-3,6-7,9H2,1H3,(H,17,20)
InChIKeyCFPXBEOWFDJDFN-UHFFFAOYSA-N
XLogP1.91
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 110883640
N-(2-chloro-3-pyridinyl)-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62015649
N-(2,6-dichlorophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577163
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807840
methyl 3-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011670
N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300131
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703986
N-(2-chloro-3-pyridinyl)-2-piperidin-1-ium-1-ylacetamide
CID 7784525
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-(3-aminophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 102631536
methyl 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8555347
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 79653209

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide (CID 102636426) is N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide is CN(CC(=O)Nc1cccnc1Cl)C1CCCCC1O.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
The InChIKey is CFPXBEOWFDJDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-18(11-6-2-3-7-12(11)19)9-13(20)17-10-5-4-8-16-14(10)15/h4-5,8,11-12,19H,2-3,6-7,9H2,1H3,(H,17,20).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide has a molecular weight of 297.79 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide is sourced from PubChem (CID 102636426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).