N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide

C15H14N2O2 — CID 2968236

IUPACN-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(Nc1cccnc1)C1OCCc2ccccc21
InChIInChI=1S/C15H14N2O2/c18-15(17-12-5-3-8-16-10-12)14-13-6-2-1-4-11(13)7-9-19-14/h1-6,8,10,14H,7,9H2,(H,17,18)
InChIKeyLDNKAUVRBKIPQG-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.33
Rot. Bonds2

About N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide

N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 2968236) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID2968236
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(Nc1cccnc1)C1OCCc2ccccc21
InChIInChI=1S/C15H14N2O2/c18-15(17-12-5-3-8-16-10-12)14-13-6-2-1-4-11(13)7-9-19-14/h1-6,8,10,14H,7,9H2,(H,17,18)
InChIKeyLDNKAUVRBKIPQG-UHFFFAOYSA-N
XLogP2.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide (CID 2968236) is N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide is O=C(Nc1cccnc1)C1OCCc2ccccc21.
What is the InChIKey of N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is LDNKAUVRBKIPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(17-12-5-3-8-16-10-12)14-13-6-2-1-4-11(13)7-9-19-14/h1-6,8,10,14H,7,9H2,(H,17,18).
What are the key properties of N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide?
N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 2968236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).