N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide

C15H13ClN2O2 — CID 115752894

IUPACN-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)C1OCCc2ccccc21
InChIInChI=1S/C15H13ClN2O2/c16-12-6-3-7-13(17-12)18-15(19)14-11-5-2-1-4-10(11)8-9-20-14/h1-7,14H,8-9H2,(H,17,18,19)
InChIKeyPACQCFYUOJFQBC-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.99
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide

N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 115752894) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID115752894
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)C1OCCc2ccccc21
InChIInChI=1S/C15H13ClN2O2/c16-12-6-3-7-13(17-12)18-15(19)14-11-5-2-1-4-10(11)8-9-20-14/h1-7,14H,8-9H2,(H,17,18,19)
InChIKeyPACQCFYUOJFQBC-UHFFFAOYSA-N
XLogP2.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 107301314
N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
N-(2-chloro-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 103829352
N-(2-aminophenyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 60983878
2-[3-(3,4-dihydro-1H-isochromene-1-carbonylamino)pyrazol-1-yl]acetic acid
CID 119994966
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 104624688
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 2990264
(1R)-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 97336647
(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7343697
(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7378858
N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 138708002
3-[4-(3,4-dihydro-1H-isochromene-1-carbonylamino)phenyl]propanoic acid
CID 119994982

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide (CID 115752894) is N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide is O=C(Nc1cccc(Cl)n1)C1OCCc2ccccc21.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is PACQCFYUOJFQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-12-6-3-7-13(17-12)18-15(19)14-11-5-2-1-4-10(11)8-9-20-14/h1-7,14H,8-9H2,(H,17,18,19).
What are the key properties of N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 288.73 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 115752894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).