N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide

C16H18N2O3 — CID 106607568

IUPACN-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
SMILESCN(CC1CCCN1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H18N2O3/c1-18(10-12-6-4-8-17-12)15(19)13-9-11-5-2-3-7-14(11)21-16(13)20/h2-3,5,7,9,12,17H,4,6,8,10H2,1H3
InChIKeyZYPJOBUNWQBLSP-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.62
Rot. Bonds3

About N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide

N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide (PubChem CID 106607568) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
PubChem CID106607568
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
SMILESCN(CC1CCCN1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H18N2O3/c1-18(10-12-6-4-8-17-12)15(19)13-9-11-5-2-3-7-14(11)21-16(13)20/h2-3,5,7,9,12,17H,4,6,8,10H2,1H3
InChIKeyZYPJOBUNWQBLSP-UHFFFAOYSA-N
XLogP1.62
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
2-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607295
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43602148
N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 106607339
N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 66185459
5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607717
N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 63298023
N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide
CID 9475464
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807305
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide (CID 106607568) is N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide is CN(CC1CCCN1)C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is ZYPJOBUNWQBLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(10-12-6-4-8-17-12)15(19)13-9-11-5-2-3-7-14(11)21-16(13)20/h2-3,5,7,9,12,17H,4,6,8,10H2,1H3.
What are the key properties of N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide?
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 106607568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).