N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C18H16N4O2 — CID 161095804

IUPACN-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1=NN=C(c2ccccn2)C1)C1COc2ccccc2C1
InChIInChI=1S/C18H16N4O2/c23-18(13-9-12-5-1-2-7-16(12)24-11-13)20-17-10-15(21-22-17)14-6-3-4-8-19-14/h1-8,13H,9-11H2,(H,20,22,23)
InChIKeyUHTVBQYWOMYSBN-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.96
Rot. Bonds2

About N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 161095804) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID161095804
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1=NN=C(c2ccccn2)C1)C1COc2ccccc2C1
InChIInChI=1S/C18H16N4O2/c23-18(13-9-12-5-1-2-7-16(12)24-11-13)20-17-10-15(21-22-17)14-6-3-4-8-19-14/h1-8,13H,9-11H2,(H,20,22,23)
InChIKeyUHTVBQYWOMYSBN-UHFFFAOYSA-N
XLogP1.96
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72839001
(3S)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97268325
N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 116798426
N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648974
(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840512
N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 103756350
N-(4-chloro-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 115627234
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-(2-cyanophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675908
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 111784596
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81304827

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 161095804) is N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC1=NN=C(c2ccccn2)C1)C1COc2ccccc2C1.
What is the InChIKey of N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is UHTVBQYWOMYSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-18(13-9-12-5-1-2-7-16(12)24-11-13)20-17-10-15(21-22-17)14-6-3-4-8-19-14/h1-8,13H,9-11H2,(H,20,22,23).
What are the key properties of N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 161095804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).