N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide

C17H22N2O2 — CID 46353382

IUPACN-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide
SMILESO=C(NCCCN1CCCC1)C1=Cc2ccccc2OC1
InChIInChI=1S/C17H22N2O2/c20-17(18-8-5-11-19-9-3-4-10-19)15-12-14-6-1-2-7-16(14)21-13-15/h1-2,6-7,12H,3-5,8-11,13H2,(H,18,20)
InChIKeyNSXNMHGJZZVWEM-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.06
Rot. Bonds5

About N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide

N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide (PubChem CID 46353382) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide
PubChem CID46353382
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide
SMILESO=C(NCCCN1CCCC1)C1=Cc2ccccc2OC1
InChIInChI=1S/C17H22N2O2/c20-17(18-8-5-11-19-9-3-4-10-19)15-12-14-6-1-2-7-16(14)21-13-15/h1-2,6-7,12H,3-5,8-11,13H2,(H,18,20)
InChIKeyNSXNMHGJZZVWEM-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide
CID 22578449
N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 89099753
ethyl 4-[4-[4-(2H-chromene-3-carbonylamino)butyl]piperazin-1-yl]benzoate
CID 24888803
N-(3-hydroxybutyl)-2H-chromene-3-carboxamide
CID 111429331
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2H-chromene-3-carboxamide
CID 26009670
N-[3-(piperidin-1-ylmethyl)phenyl]-2H-chromene-3-carboxamide
CID 34451519
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoro-2H-chromene-3-carboxamide
CID 59178312
N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide
CID 41412635
N-cyclohexyl-2H-chromene-3-carboxamide
CID 9043314
N-cyclooctyl-2H-chromene-3-carboxamide
CID 22578430
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide (CID 46353382) is N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide is O=C(NCCCN1CCCC1)C1=Cc2ccccc2OC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide?
The InChIKey is NSXNMHGJZZVWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-17(18-8-5-11-19-9-3-4-10-19)15-12-14-6-1-2-7-16(14)21-13-15/h1-2,6-7,12H,3-5,8-11,13H2,(H,18,20).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide?
N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 46353382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).