2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide

C14H15ClN2O2 — CID 113378355

IUPAC2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)Cc2ccco2)cc(Cl)n1
InChIInChI=1S/C14H15ClN2O2/c1-9-6-11(8-13(15)16-9)14(18)17-10(2)7-12-4-3-5-19-12/h3-6,8,10H,7H2,1-2H3,(H,17,18)
InChIKeyOXJIJAVCJBDVLH-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide

2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide (PubChem CID 113378355) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide
PubChem CID113378355
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)Cc2ccco2)cc(Cl)n1
InChIInChI=1S/C14H15ClN2O2/c1-9-6-11(8-13(15)16-9)14(18)17-10(2)7-12-4-3-5-19-12/h3-6,8,10H,7H2,1-2H3,(H,17,18)
InChIKeyOXJIJAVCJBDVLH-UHFFFAOYSA-N
XLogP3.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762
5-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51938289
7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 51938287
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55738273
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide (CID 113378355) is 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC(C)Cc2ccco2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide?
The InChIKey is OXJIJAVCJBDVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-6-11(8-13(15)16-9)14(18)17-10(2)7-12-4-3-5-19-12/h3-6,8,10H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide?
2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 113378355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).