N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C23H21N3O3 — CID 166291812

IUPACN-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NC3CNCCC3C#N)cccc2c1=O
InChIInChI=1S/C23H21N3O3/c1-14-20(27)17-8-5-9-18(22(17)29-21(14)15-6-3-2-4-7-15)23(28)26-19-13-25-11-10-16(19)12-24/h2-9,16,19,25H,10-11,13H2,1H3,(H,26,28)
InChIKeyKDGUVSZWNYRBRW-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.00
Rot. Bonds3

About N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 166291812) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID166291812
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NC3CNCCC3C#N)cccc2c1=O
InChIInChI=1S/C23H21N3O3/c1-14-20(27)17-8-5-9-18(22(17)29-21(14)15-6-3-2-4-7-15)23(28)26-19-13-25-11-10-16(19)12-24/h2-9,16,19,25H,10-11,13H2,1H3,(H,26,28)
InChIKeyKDGUVSZWNYRBRW-UHFFFAOYSA-N
XLogP3.00
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 166200068
3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 166196179
3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride
CID 119557566
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 40946836
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 46553863
tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate
CID 60560484
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid
CID 119166358
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907
8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
[(3S)-2-oxoazepan-3-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 51928937

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 166291812) is N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)NC3CNCCC3C#N)cccc2c1=O.
What is the InChIKey of N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is KDGUVSZWNYRBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-20(27)17-8-5-9-18(22(17)29-21(14)15-6-3-2-4-7-15)23(28)26-19-13-25-11-10-16(19)12-24/h2-9,16,19,25H,10-11,13H2,1H3,(H,26,28).
What are the key properties of N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 166291812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).