4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C21H21ClN4O2 — CID 109209317

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc(N2CCN(c3cccc(Cl)c3)CC2)ccn1
InChIInChI=1S/C21H21ClN4O2/c22-16-3-1-4-17(13-16)25-8-10-26(11-9-25)18-6-7-23-20(14-18)21(27)24-15-19-5-2-12-28-19/h1-7,12-14H,8-11,15H2,(H,24,27)
InChIKeyKMJUONATNRAAHO-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.58
Rot. Bonds5

About 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109209317) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109209317
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc(N2CCN(c3cccc(Cl)c3)CC2)ccn1
InChIInChI=1S/C21H21ClN4O2/c22-16-3-1-4-17(13-16)25-8-10-26(11-9-25)18-6-7-23-20(14-18)21(27)24-15-19-5-2-12-28-19/h1-7,12-14H,8-11,15H2,(H,24,27)
InChIKeyKMJUONATNRAAHO-UHFFFAOYSA-N
XLogP3.58
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209310
N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide
CID 56869038
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303288
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 53142789
N-(furan-2-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71830078
N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 95528034
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 71840415
N-(furan-2-ylmethyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082801
1-[4-(4-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)isoquinoline-7-carboxamide
CID 53102297

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 109209317) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccco1)c1cc(N2CCN(c3cccc(Cl)c3)CC2)ccn1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is KMJUONATNRAAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-16-3-1-4-17(13-16)25-8-10-26(11-9-25)18-6-7-23-20(14-18)21(27)24-15-19-5-2-12-28-19/h1-7,12-14H,8-11,15H2,(H,24,27).
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109209317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).