5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide

C16H15ClN2O2 — CID 171547623

IUPAC5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(Cl)cc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c1-21-16-13(8-11(17)9-18-16)15(20)19-14-7-6-10-4-2-3-5-12(10)14/h2-5,8-9,14H,6-7H2,1H3,(H,19,20)
InChIKeyYQKLCCBHRALLFW-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.16
Rot. Bonds3

About 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide

5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide (PubChem CID 171547623) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide
PubChem CID171547623
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(Cl)cc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c1-21-16-13(8-11(17)9-18-16)15(20)19-14-7-6-10-4-2-3-5-12(10)14/h2-5,8-9,14H,6-7H2,1H3,(H,19,20)
InChIKeyYQKLCCBHRALLFW-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
CID 115645626
N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824293
3-(2-chlorophenyl)-7-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 153468086
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
CID 51316375
2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 114370976
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide (CID 171547623) is 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide is COc1ncc(Cl)cc1C(=O)NC1CCc2ccccc21.
What is the InChIKey of 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide?
The InChIKey is YQKLCCBHRALLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-21-16-13(8-11(17)9-18-16)15(20)19-14-7-6-10-4-2-3-5-12(10)14/h2-5,8-9,14H,6-7H2,1H3,(H,19,20).
What are the key properties of 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide?
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 171547623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).