N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide

C20H22N4O3 — CID 86266508

IUPACN-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCn1nc(CN(Cc2ccco2)C(=O)c2cccn(C)c2=O)c2c1CCC2
InChIInChI=1S/C20H22N4O3/c1-22-10-4-8-16(19(22)25)20(26)24(12-14-6-5-11-27-14)13-17-15-7-3-9-18(15)23(2)21-17/h4-6,8,10-11H,3,7,9,12-13H2,1-2H3
InChIKeyMJZMZVXHFYSLMB-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.04
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide

N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 86266508) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID86266508
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCn1nc(CN(Cc2ccco2)C(=O)c2cccn(C)c2=O)c2c1CCC2
InChIInChI=1S/C20H22N4O3/c1-22-10-4-8-16(19(22)25)20(26)24(12-14-6-5-11-27-14)13-17-15-7-3-9-18(15)23(2)21-17/h4-6,8,10-11H,3,7,9,12-13H2,1-2H3
InChIKeyMJZMZVXHFYSLMB-UHFFFAOYSA-N
XLogP2.04
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide (CID 86266508) is N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide is Cn1nc(CN(Cc2ccco2)C(=O)c2cccn(C)c2=O)c2c1CCC2.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is MJZMZVXHFYSLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-22-10-4-8-16(19(22)25)20(26)24(12-14-6-5-11-27-14)13-17-15-7-3-9-18(15)23(2)21-17/h4-6,8,10-11H,3,7,9,12-13H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide?
N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 86266508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).