N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C20H20N4O3 — CID 72849913

IUPACN-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)c1cc(-c3ccncc3)n[nH]1)C2
InChIInChI=1S/C20H20N4O3/c1-26-16-3-2-15-8-13(12-27-19(15)9-16)11-22-20(25)18-10-17(23-24-18)14-4-6-21-7-5-14/h2-7,9-10,13H,8,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyPTQUPDBQPHYCAP-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.46
Rot. Bonds5

About N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 72849913) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID72849913
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)c1cc(-c3ccncc3)n[nH]1)C2
InChIInChI=1S/C20H20N4O3/c1-26-16-3-2-15-8-13(12-27-19(15)9-16)11-22-20(25)18-10-17(23-24-18)14-4-6-21-7-5-14/h2-7,9-10,13H,8,11-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyPTQUPDBQPHYCAP-UHFFFAOYSA-N
XLogP2.46
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 72849913) is N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is COc1ccc2c(c1)OCC(CNC(=O)c1cc(-c3ccncc3)n[nH]1)C2.
What is the InChIKey of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is PTQUPDBQPHYCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-16-3-2-15-8-13(12-27-19(15)9-16)11-22-20(25)18-10-17(23-24-18)14-4-6-21-7-5-14/h2-7,9-10,13H,8,11-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 72849913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).