2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide

C12H18ClN3O2 — CID 115649303

IUPAC2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCCOC(C)CNC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C12H18ClN3O2/c1-4-18-8(2)7-15-12(17)9-5-10(13)16-11(6-9)14-3/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyIWVRCNWRZWIZJG-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.93
Rot. Bonds6

About 2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 115649303) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID115649303
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCCOC(C)CNC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C12H18ClN3O2/c1-4-18-8(2)7-15-12(17)9-5-10(13)16-11(6-9)14-3/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyIWVRCNWRZWIZJG-UHFFFAOYSA-N
XLogP1.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.93
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

2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234
2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113477235
2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111115777
2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111447865
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924522
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 115620351
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62177585
2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
CID 62200290
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
CID 115649315
[6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid
CID 134540142
2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide
CID 134540207

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide (CID 115649303) is 2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide is CCOC(C)CNC(=O)c1cc(Cl)nc(NC)c1.
What is the InChIKey of 2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is IWVRCNWRZWIZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-18-8(2)7-15-12(17)9-5-10(13)16-11(6-9)14-3/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 115649303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).