N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide

C16H20N4O2 — CID 50948744

IUPACN-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(CN2CC=C(c3cnn(C)c3)CC2)o1
InChIInChI=1S/C16H20N4O2/c1-17-16(21)15-4-3-14(22-15)11-20-7-5-12(6-8-20)13-9-18-19(2)10-13/h3-5,9-10H,6-8,11H2,1-2H3,(H,17,21)
InChIKeyQZKKPUZSIJAOGY-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.66
Rot. Bonds4

About N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide

N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide (PubChem CID 50948744) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide
PubChem CID50948744
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(CN2CC=C(c3cnn(C)c3)CC2)o1
InChIInChI=1S/C16H20N4O2/c1-17-16(21)15-4-3-14(22-15)11-20-7-5-12(6-8-20)13-9-18-19(2)10-13/h3-5,9-10H,6-8,11H2,1-2H3,(H,17,21)
InChIKeyQZKKPUZSIJAOGY-UHFFFAOYSA-N
XLogP1.66
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide (CID 50948744) is N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide is CNC(=O)c1ccc(CN2CC=C(c3cnn(C)c3)CC2)o1.
What is the InChIKey of N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is QZKKPUZSIJAOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-17-16(21)15-4-3-14(22-15)11-20-7-5-12(6-8-20)13-9-18-19(2)10-13/h3-5,9-10H,6-8,11H2,1-2H3,(H,17,21).
What are the key properties of N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide?
N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 50948744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).