N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide

C19H24N4O3 — CID 118744917

IUPACN-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1OCCc2cn(CC3CCOCC3)nc21)c1ccncc1
InChIInChI=1S/C19H24N4O3/c24-19(15-1-6-20-7-2-15)21-11-17-18-16(5-10-26-17)13-23(22-18)12-14-3-8-25-9-4-14/h1-2,6-7,13-14,17H,3-5,8-12H2,(H,21,24)
InChIKeyIAAZGTJMMUYZJS-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.75
Rot. Bonds5

About N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide

N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide (PubChem CID 118744917) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide
PubChem CID118744917
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1OCCc2cn(CC3CCOCC3)nc21)c1ccncc1
InChIInChI=1S/C19H24N4O3/c24-19(15-1-6-20-7-2-15)21-11-17-18-16(5-10-26-17)13-23(22-18)12-14-3-8-25-9-4-14/h1-2,6-7,13-14,17H,3-5,8-12H2,(H,21,24)
InChIKeyIAAZGTJMMUYZJS-UHFFFAOYSA-N
XLogP1.75
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide (CID 118744917) is N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide is O=C(NCC1OCCc2cn(CC3CCOCC3)nc21)c1ccncc1.
What is the InChIKey of N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide?
The InChIKey is IAAZGTJMMUYZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-19(15-1-6-20-7-2-15)21-11-17-18-16(5-10-26-17)13-23(22-18)12-14-3-8-25-9-4-14/h1-2,6-7,13-14,17H,3-5,8-12H2,(H,21,24).
What are the key properties of N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide?
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118744917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).