2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide

C15H21ClN2O2 — CID 122151905

IUPAC2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide
SMILESCC(C)C1CC(CNC(=O)c2ccnc(Cl)c2)CCO1
InChIInChI=1S/C15H21ClN2O2/c1-10(2)13-7-11(4-6-20-13)9-18-15(19)12-3-5-17-14(16)8-12/h3,5,8,10-11,13H,4,6-7,9H2,1-2H3,(H,18,19)
InChIKeyZHYPBEHBRIHNRK-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.92
Rot. Bonds4

About 2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide

2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 122151905) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide
PubChem CID122151905
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide
SMILESCC(C)C1CC(CNC(=O)c2ccnc(Cl)c2)CCO1
InChIInChI=1S/C15H21ClN2O2/c1-10(2)13-7-11(4-6-20-13)9-18-15(19)12-3-5-17-14(16)8-12/h3,5,8,10-11,13H,4,6-7,9H2,1-2H3,(H,18,19)
InChIKeyZHYPBEHBRIHNRK-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]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-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
2-chloro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115625144
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 54983144
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115629793
N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide
CID 106126288
4-[[(2-propan-2-yloxan-4-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122016468
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
2-(dimethylamino)-N-[(3-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 103280007
2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107412485

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide (CID 122151905) is 2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide is CC(C)C1CC(CNC(=O)c2ccnc(Cl)c2)CCO1.
What is the InChIKey of 2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is ZHYPBEHBRIHNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(2)13-7-11(4-6-20-13)9-18-15(19)12-3-5-17-14(16)8-12/h3,5,8,10-11,13H,4,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide?
2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-propan-2-yloxan-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 122151905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).