2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide

C10H14ClN3O2 — CID 106687134

IUPAC2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide
SMILESCN1CCN(NC(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C10H14ClN3O2/c1-13-3-5-14(6-4-13)12-10(15)8-2-7-16-9(8)11/h2,7H,3-6H2,1H3,(H,12,15)
InChIKeyZYVKIAQDPBQXSZ-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.83
Rot. Bonds2

About 2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide

2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide (PubChem CID 106687134) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide
PubChem CID106687134
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide
SMILESCN1CCN(NC(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C10H14ClN3O2/c1-13-3-5-14(6-4-13)12-10(15)8-2-7-16-9(8)11/h2,7H,3-6H2,1H3,(H,12,15)
InChIKeyZYVKIAQDPBQXSZ-UHFFFAOYSA-N
XLogP0.83
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
CID 106686542
3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 110463774
2-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]furan-3-carboxamide
CID 106689269
ethyl 4-[(2-chlorofuran-3-carbonyl)amino]-1-methylpiperidine-4-carboxylate
CID 100650510
2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
CID 9204739
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)benzamide
CID 110463540
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83024967
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 110475168
N-(azetidin-3-yl)-2-chlorofuran-3-carboxamide
CID 106688544
1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea
CID 3626403
2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 82546934

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide (CID 106687134) is 2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide is CN1CCN(NC(=O)c2ccoc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide?
The InChIKey is ZYVKIAQDPBQXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-13-3-5-14(6-4-13)12-10(15)8-2-7-16-9(8)11/h2,7H,3-6H2,1H3,(H,12,15).
What are the key properties of 2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide?
2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide has a molecular weight of 243.69 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide is sourced from PubChem (CID 106687134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).