2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide

C14H22ClN3O2 — CID 111115777

IUPAC2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C14H22ClN3O2/c1-4-9(5-2)11(19)8-17-14(20)10-6-12(15)18-13(7-10)16-3/h6-7,9,11,19H,4-5,8H2,1-3H3,(H,16,18)(H,17,20)
InChIKeyKQIPUNKXFWSFIA-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.30
Rot. Bonds7

About 2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 111115777) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID111115777
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C14H22ClN3O2/c1-4-9(5-2)11(19)8-17-14(20)10-6-12(15)18-13(7-10)16-3/h6-7,9,11,19H,4-5,8H2,1-3H3,(H,16,18)(H,17,20)
InChIKeyKQIPUNKXFWSFIA-UHFFFAOYSA-N
XLogP2.30
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111447865
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
CID 115649303
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
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221
2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide
CID 109478884
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62179327
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
CID 62200290
2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 62178675
2-chloro-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 62169675

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide (CID 111115777) is 2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide is CCC(CC)C(O)CNC(=O)c1cc(Cl)nc(NC)c1.
What is the InChIKey of 2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is KQIPUNKXFWSFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-9(5-2)11(19)8-17-14(20)10-6-12(15)18-13(7-10)16-3/h6-7,9,11,19H,4-5,8H2,1-3H3,(H,16,18)(H,17,20).
What are the key properties of 2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 111115777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).