1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide

C18H22N4O2 — CID 127265138

IUPAC1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NCC=Cc3ccco3)cn2)C1
InChIInChI=1S/C18H22N4O2/c19-18(23)14-4-2-10-22(13-14)17-8-7-15(12-21-17)20-9-1-5-16-6-3-11-24-16/h1,3,5-8,11-12,14,20H,2,4,9-10,13H2,(H2,19,23)
InChIKeyHMQPLOFAVTWJJW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.50
Rot. Bonds6

About 1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 127265138) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID127265138
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NCC=Cc3ccco3)cn2)C1
InChIInChI=1S/C18H22N4O2/c19-18(23)14-4-2-10-22(13-14)17-8-7-15(12-21-17)20-9-1-5-16-6-3-11-24-16/h1,3,5-8,11-12,14,20H,2,4,9-10,13H2,(H2,19,23)
InChIKeyHMQPLOFAVTWJJW-UHFFFAOYSA-N
XLogP2.50
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 80632237
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
(3R)-1-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 98891264
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490
1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 55970974
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701002
(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide
CID 51969113

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide (CID 127265138) is 1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NCC=Cc3ccco3)cn2)C1.
What is the InChIKey of 1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is HMQPLOFAVTWJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c19-18(23)14-4-2-10-22(13-14)17-8-7-15(12-21-17)20-9-1-5-16-6-3-11-24-16/h1,3,5-8,11-12,14,20H,2,4,9-10,13H2,(H2,19,23).
What are the key properties of 1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(furan-2-yl)prop-2-enylamino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 127265138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).