N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide

C20H21N3O3 — CID 122246123

IUPACN-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2=O)c1)C1CCc2ccccc2O1
InChIInChI=1S/C20H21N3O3/c24-19-6-3-11-23(19)18-12-14(9-10-21-18)13-22-20(25)17-8-7-15-4-1-2-5-16(15)26-17/h1-2,4-5,9-10,12,17H,3,6-8,11,13H2,(H,22,25)
InChIKeyRFLFTHWYFHWTNC-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.22
Rot. Bonds4

About N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide

N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 122246123) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID122246123
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2=O)c1)C1CCc2ccccc2O1
InChIInChI=1S/C20H21N3O3/c24-19-6-3-11-23(19)18-12-14(9-10-21-18)13-22-20(25)17-8-7-15-4-1-2-5-16(15)26-17/h1-2,4-5,9-10,12,17H,3,6-8,11,13H2,(H,22,25)
InChIKeyRFLFTHWYFHWTNC-UHFFFAOYSA-N
XLogP2.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 122246123) is N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NCc1ccnc(N2CCCC2=O)c1)C1CCc2ccccc2O1.
What is the InChIKey of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is RFLFTHWYFHWTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19-6-3-11-23(19)18-12-14(9-10-21-18)13-22-20(25)17-8-7-15-4-1-2-5-16(15)26-17/h1-2,4-5,9-10,12,17H,3,6-8,11,13H2,(H,22,25).
What are the key properties of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 122246123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).