N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide

C19H21N3O3 — CID 93486038

IUPACN-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1cccn1C
InChIInChI=1S/C19H21N3O3/c1-21(2)15(14-8-6-10-22(14)3)12-20-19(24)18-11-16(23)13-7-4-5-9-17(13)25-18/h4-11,15H,12H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyLAZNEOHIBSQETO-OAHLLOKOSA-N
MW339.40 g/mol
LogP2.16
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide

N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide (PubChem CID 93486038) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide
PubChem CID93486038
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1cccn1C
InChIInChI=1S/C19H21N3O3/c1-21(2)15(14-8-6-10-22(14)3)12-20-19(24)18-11-16(23)13-7-4-5-9-17(13)25-18/h4-11,15H,12H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyLAZNEOHIBSQETO-OAHLLOKOSA-N
XLogP2.16
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide (CID 93486038) is N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide is CN(C)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1cccn1C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is LAZNEOHIBSQETO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21(2)15(14-8-6-10-22(14)3)12-20-19(24)18-11-16(23)13-7-4-5-9-17(13)25-18/h4-11,15H,12H2,1-3H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 93486038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).