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

C19H20N4O2 — CID 86266529

IUPACN-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCn1nc(CN(Cc2ccco2)C(=O)c2cccnc2)c2c1CCC2
InChIInChI=1S/C19H20N4O2/c1-22-18-8-2-7-16(18)17(21-22)13-23(12-15-6-4-10-25-15)19(24)14-5-3-9-20-11-14/h3-6,9-11H,2,7-8,12-13H2,1H3
InChIKeyQPNNLOWIABNHDT-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.74
Rot. Bonds5

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

N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 86266529) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID86266529
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCn1nc(CN(Cc2ccco2)C(=O)c2cccnc2)c2c1CCC2
InChIInChI=1S/C19H20N4O2/c1-22-18-8-2-7-16(18)17(21-22)13-23(12-15-6-4-10-25-15)19(24)14-5-3-9-20-11-14/h3-6,9-11H,2,7-8,12-13H2,1H3
InChIKeyQPNNLOWIABNHDT-UHFFFAOYSA-N
XLogP2.74
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide (CID 86266529) is N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide is Cn1nc(CN(Cc2ccco2)C(=O)c2cccnc2)c2c1CCC2.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is QPNNLOWIABNHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22-18-8-2-7-16(18)17(21-22)13-23(12-15-6-4-10-25-15)19(24)14-5-3-9-20-11-14/h3-6,9-11H,2,7-8,12-13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide?
N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 86266529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).