N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C19H26N4O2 — CID 86797413

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1cc(C(C)NC(=O)N2CCN(Cc3ccccn3)CC2)c(C)o1
InChIInChI=1S/C19H26N4O2/c1-14-12-18(16(3)25-14)15(2)21-19(24)23-10-8-22(9-11-23)13-17-6-4-5-7-20-17/h4-7,12,15H,8-11,13H2,1-3H3,(H,21,24)
InChIKeyXDKUFWNPVVEJMK-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.88
Rot. Bonds4

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 86797413) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID86797413
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1cc(C(C)NC(=O)N2CCN(Cc3ccccn3)CC2)c(C)o1
InChIInChI=1S/C19H26N4O2/c1-14-12-18(16(3)25-14)15(2)21-19(24)23-10-8-22(9-11-23)13-17-6-4-5-7-20-17/h4-7,12,15H,8-11,13H2,1-3H3,(H,21,24)
InChIKeyXDKUFWNPVVEJMK-UHFFFAOYSA-N
XLogP2.88
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
N-[(1Z)-1-(furan-2-yl)-3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}prop-1-en-2-yl]benzamide
CID 5765256
N-[2-(5-methyl-2-furyl)-1-({[2-(2-pyridinyl)ethyl]amino}carbonyl)vinyl]benzamide
CID 11840058
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-furan-3-yl-methanone
CID 42606461
2-methyl-N-(2-pyridinylmethyl)-3-furamide
CID 896600
(2,5-Dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 1245848
(E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)acrylamide
CID 2117442
N-Ethyl-4-[(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-pyridin-2-yl-methyl]-benzamide
CID 44395649
N-methyl-4-(4-(3-(4-((4-methylpiperazin-1-yl)methyl)phenyl)ureido)phenoxy)picolinamide
CID 49863710
N1-(2-(furan-2-yl)-2-morpholinoethyl)-N2-(pyridin-3-ylmethyl)oxalamide
CID 16194796
3-(5-methyl-2-furyl)-N-(2-pyridinylmethyl)acrylamide
CID 844091
N-[3-[4-[cyano-(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]furan-3-carboxamide
CID 10095628

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 86797413) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is Cc1cc(C(C)NC(=O)N2CCN(Cc3ccccn3)CC2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is XDKUFWNPVVEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-12-18(16(3)25-14)15(2)21-19(24)23-10-8-22(9-11-23)13-17-6-4-5-7-20-17/h4-7,12,15H,8-11,13H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86797413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).