4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C21H21N5O3 — CID 109212692

IUPAC4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(N2CCN(C(=O)c3ccco3)CC2)ccn1
InChIInChI=1S/C21H21N5O3/c27-20(24-15-16-4-1-2-7-22-16)18-14-17(6-8-23-18)25-9-11-26(12-10-25)21(28)19-5-3-13-29-19/h1-8,13-14H,9-12,15H2,(H,24,27)
InChIKeyRDMCQWGQHDAESX-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.96
Rot. Bonds5

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

4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109212692) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109212692
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(N2CCN(C(=O)c3ccco3)CC2)ccn1
InChIInChI=1S/C21H21N5O3/c27-20(24-15-16-4-1-2-7-22-16)18-14-17(6-8-23-18)25-9-11-26(12-10-25)21(28)19-5-3-13-29-19/h1-8,13-14H,9-12,15H2,(H,24,27)
InChIKeyRDMCQWGQHDAESX-UHFFFAOYSA-N
XLogP1.96
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258548
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212690
furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 109203676
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212686
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136889
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone
CID 109283092
N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216191
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109212692) is 4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccccn1)c1cc(N2CCN(C(=O)c3ccco3)CC2)ccn1.
What is the InChIKey of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is RDMCQWGQHDAESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-20(24-15-16-4-1-2-7-22-16)18-14-17(6-8-23-18)25-9-11-26(12-10-25)21(28)19-5-3-13-29-19/h1-8,13-14H,9-12,15H2,(H,24,27).
What are the key properties of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).