3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide

C21H19N7O2 — CID 118239817

IUPAC3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide
SMILESNC(=O)c1cccc2c(-c3nc(NCc4ccccc4)c4c(n3)OCCC4)nnn12
InChIInChI=1S/C21H19N7O2/c22-18(29)16-10-4-9-15-17(26-27-28(15)16)20-24-19(14-8-5-11-30-21(14)25-20)23-12-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H2,22,29)(H,23,24,25)
InChIKeyDHUMDIPRGGDCDZ-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.22
Rot. Bonds5

About 3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide

3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 118239817) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID118239817
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide
SMILESNC(=O)c1cccc2c(-c3nc(NCc4ccccc4)c4c(n3)OCCC4)nnn12
InChIInChI=1S/C21H19N7O2/c22-18(29)16-10-4-9-15-17(26-27-28(15)16)20-24-19(14-8-5-11-30-21(14)25-20)23-12-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H2,22,29)(H,23,24,25)
InChIKeyDHUMDIPRGGDCDZ-UHFFFAOYSA-N
XLogP2.22
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide (CID 118239817) is 3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide is NC(=O)c1cccc2c(-c3nc(NCc4ccccc4)c4c(n3)OCCC4)nnn12.
What is the InChIKey of 3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is DHUMDIPRGGDCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c22-18(29)16-10-4-9-15-17(26-27-28(15)16)20-24-19(14-8-5-11-30-21(14)25-20)23-12-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H2,22,29)(H,23,24,25).
What are the key properties of 3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide?
3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 118239817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).