3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide

C10H13ClN2O3 — CID 66464589

IUPAC3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
SMILESCOC(CNC(=O)c1ccncc1Cl)OC
InChIInChI=1S/C10H13ClN2O3/c1-15-9(16-2)6-13-10(14)7-3-4-12-5-8(7)11/h3-5,9H,6H2,1-2H3,(H,13,14)
InChIKeyCWGGDBFAVBTNIG-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.08
Rot. Bonds5

About 3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide

3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide (PubChem CID 66464589) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
PubChem CID66464589
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
SMILESCOC(CNC(=O)c1ccncc1Cl)OC
InChIInChI=1S/C10H13ClN2O3/c1-15-9(16-2)6-13-10(14)7-3-4-12-5-8(7)11/h3-5,9H,6H2,1-2H3,(H,13,14)
InChIKeyCWGGDBFAVBTNIG-UHFFFAOYSA-N
XLogP1.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 103714844
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81066288
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
CID 66482967
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 66462020
N-but-2-ynyl-3-chloropyridine-4-carboxamide
CID 115866885
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide (CID 66464589) is 3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide is COC(CNC(=O)c1ccncc1Cl)OC.
What is the InChIKey of 3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide?
The InChIKey is CWGGDBFAVBTNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-15-9(16-2)6-13-10(14)7-3-4-12-5-8(7)11/h3-5,9H,6H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide?
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide has a molecular weight of 244.68 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 66464589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).