4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide

C18H22N4O3 — CID 71879750

IUPAC4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)Nc3cccnc3)CC2)c(C)o1
InChIInChI=1S/C18H22N4O3/c1-12-10-16(13(2)25-12)17(23)20-14-5-8-22(9-6-14)18(24)21-15-4-3-7-19-11-15/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyMKMVVXONSFLNLK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.72
Rot. Bonds3

About 4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide

4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 71879750) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID71879750
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)Nc3cccnc3)CC2)c(C)o1
InChIInChI=1S/C18H22N4O3/c1-12-10-16(13(2)25-12)17(23)20-14-5-8-22(9-6-14)18(24)21-15-4-3-7-19-11-15/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyMKMVVXONSFLNLK-UHFFFAOYSA-N
XLogP2.72
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-pyridin-3-ylfuran-3-carboxamide
CID 1225414
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 47067173
N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 154785288
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316682
2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide
CID 99816350
N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771763
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 51276164
4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide
CID 129004395
2,5-dimethyl-N-[1-[2-(methylcarbamoylamino)acetyl]piperidin-4-yl]furan-3-carboxamide
CID 138995224
2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide
CID 120930818
N-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 111537911

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide (CID 71879750) is 4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)Nc3cccnc3)CC2)c(C)o1.
What is the InChIKey of 4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is MKMVVXONSFLNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-10-16(13(2)25-12)17(23)20-14-5-8-22(9-6-14)18(24)21-15-4-3-7-19-11-15/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide?
4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71879750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).