N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide

C10H8ClN3O2 — CID 114824082

IUPACN-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccnc(Cl)n2)co1
InChIInChI=1S/C10H8ClN3O2/c1-6-4-7(5-16-6)9(15)13-8-2-3-12-10(11)14-8/h2-5H,1H3,(H,12,13,14,15)
InChIKeyRUEISAHBTZHIHH-UHFFFAOYSA-N
MW237.65 g/mol
LogP2.28
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide

N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide (PubChem CID 114824082) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide
PubChem CID114824082
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC NameN-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccnc(Cl)n2)co1
InChIInChI=1S/C10H8ClN3O2/c1-6-4-7(5-16-6)9(15)13-8-2-3-12-10(11)14-8/h2-5H,1H3,(H,12,13,14,15)
InChIKeyRUEISAHBTZHIHH-UHFFFAOYSA-N
XLogP2.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
CID 116798448
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide
CID 116794886
N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
CID 116795223
N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide
CID 103123881
N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 116795202
N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide
CID 116795042
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
2-[(2-chloropyrimidin-4-yl)carbamoyl]-4,5-difluorobenzoic acid
CID 116794791
N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
CID 116798386
N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
CID 116798586

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide (CID 114824082) is N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccnc(Cl)n2)co1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide?
The InChIKey is RUEISAHBTZHIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-6-4-7(5-16-6)9(15)13-8-2-3-12-10(11)14-8/h2-5H,1H3,(H,12,13,14,15).
What are the key properties of N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide?
N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide has a molecular weight of 237.65 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114824082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).