2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide

C9H6ClN3O2 — CID 106812415

IUPAC2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide
SMILESO=C(Nc1cncnc1)c1ccoc1Cl
InChIInChI=1S/C9H6ClN3O2/c10-8-7(1-2-15-8)9(14)13-6-3-11-5-12-4-6/h1-5H,(H,13,14)
InChIKeyAKDAXIBQHLTLBK-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.98
Rot. Bonds2

About 2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide

2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide (PubChem CID 106812415) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide
PubChem CID106812415
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide
SMILESO=C(Nc1cncnc1)c1ccoc1Cl
InChIInChI=1S/C9H6ClN3O2/c10-8-7(1-2-15-8)9(14)13-6-3-11-5-12-4-6/h1-5H,(H,13,14)
InChIKeyAKDAXIBQHLTLBK-UHFFFAOYSA-N
XLogP1.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 106683355
2-chloro-N-(6-chloropyrazin-2-yl)furan-3-carboxamide
CID 106690814
2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide
CID 106685634
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166
N-(3-bromo-4-pyridinyl)-2-chlorofuran-3-carboxamide
CID 106685097
2-chloro-N-(6-imidazol-1-yl-3-pyridinyl)furan-3-carboxamide
CID 106685994
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
2-amino-5-chloro-N-pyrimidin-5-ylpyridine-4-carboxamide
CID 107589913
2-(pyrimidin-5-ylcarbamoyl)benzoic acid
CID 107587534
2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide
CID 106686038
2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide
CID 106686546
5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683314

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide?
The IUPAC name of 2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide (CID 106812415) is 2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide.
What is the SMILES notation for 2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide?
The canonical SMILES for 2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide is O=C(Nc1cncnc1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide?
The InChIKey is AKDAXIBQHLTLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c10-8-7(1-2-15-8)9(14)13-6-3-11-5-12-4-6/h1-5H,(H,13,14).
What are the key properties of 2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide?
2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide has a molecular weight of 223.62 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide is sourced from PubChem (CID 106812415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).