N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide

C16H15BrN2O2 — CID 103909491

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H15BrN2O2/c1-10-13(6-7-15(17)18-10)19-16(20)12-8-9-21-14-5-3-2-4-11(12)14/h2-7,12H,8-9H2,1H3,(H,19,20)
InChIKeyBCGRVURIIZWZQC-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.66
Rot. Bonds2

About N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide

N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 103909491) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID103909491
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H15BrN2O2/c1-10-13(6-7-15(17)18-10)19-16(20)12-8-9-21-14-5-3-2-4-11(12)14/h2-7,12H,8-9H2,1H3,(H,19,20)
InChIKeyBCGRVURIIZWZQC-UHFFFAOYSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.66
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-(5-bromo-6-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79041186
N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide
CID 155944873
N-(4-methyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 112691321
N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79760288
N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79754301
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708496
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 106912130
N-(1-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 55248313
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086
(4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 97246485

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 103909491) is N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide is Cc1nc(Br)ccc1NC(=O)C1CCOc2ccccc21.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is BCGRVURIIZWZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-10-13(6-7-15(17)18-10)19-16(20)12-8-9-21-14-5-3-2-4-11(12)14/h2-7,12H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 347.21 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 103909491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).