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

C16H15ClN2O2 — CID 107301314

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCc1nc(Cl)ccc1NC(=O)C1OCCc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c1-10-13(6-7-14(17)18-10)19-16(20)15-12-5-3-2-4-11(12)8-9-21-15/h2-7,15H,8-9H2,1H3,(H,19,20)
InChIKeyRFSBABPHPNITJG-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.30
Rot. Bonds2

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

N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 107301314) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID107301314
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCc1nc(Cl)ccc1NC(=O)C1OCCc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c1-10-13(6-7-14(17)18-10)19-16(20)15-12-5-3-2-4-11(12)8-9-21-15/h2-7,15H,8-9H2,1H3,(H,19,20)
InChIKeyRFSBABPHPNITJG-UHFFFAOYSA-N
XLogP3.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.30
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-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 115752894
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
N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
2-[4-(3,4-dihydro-1H-isochromene-1-carbonylamino)-3-methylphenoxy]acetic acid
CID 119994967
(1S)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 97350393
1-(3,4-dihydro-1H-isochromen-1-yl)-2,2-dimethylpropan-1-one
CID 105098669
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 104624688
N-[4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 45131247
(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

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide (CID 107301314) is N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide is Cc1nc(Cl)ccc1NC(=O)C1OCCc2ccccc21.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is RFSBABPHPNITJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-13(6-7-14(17)18-10)19-16(20)15-12-5-3-2-4-11(12)8-9-21-15/h2-7,15H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.30, 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-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 107301314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).