2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile

C19H15N5O2 — CID 95309776

IUPAC2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
SMILESC[C@]1(c2ccccn2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O
InChIInChI=1S/C19H15N5O2/c1-19(16-7-2-4-8-21-16)17(25)24(18(26)22-19)12-13-11-23-9-5-3-6-15(23)14(13)10-20/h2-9,11H,12H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyMAJGKFBLTFRTEJ-LJQANCHMSA-N
MW345.36 g/mol
LogP2.17
Rot. Bonds3

About 2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile

2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile (PubChem CID 95309776) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
PubChem CID95309776
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
SMILESC[C@]1(c2ccccn2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O
InChIInChI=1S/C19H15N5O2/c1-19(16-7-2-4-8-21-16)17(25)24(18(26)22-19)12-13-11-23-9-5-3-6-15(23)14(13)10-20/h2-9,11H,12H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyMAJGKFBLTFRTEJ-LJQANCHMSA-N
XLogP2.17
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 16624144
2-[[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 16624142
2-[[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 16624154
2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile
CID 75402499
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95295538
(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 52884048
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 71914279
(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 99637339
3-[(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)methyl]benzoic acid
CID 82148005
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid
CID 82148086
(5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 96521180

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile (CID 95309776) is 2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile is C[C@]1(c2ccccn2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O.
What is the InChIKey of 2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile?
The InChIKey is MAJGKFBLTFRTEJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-19(16-7-2-4-8-21-16)17(25)24(18(26)22-19)12-13-11-23-9-5-3-6-15(23)14(13)10-20/h2-9,11H,12H2,1H3,(H,22,26)/t19-/m1/s1.
What are the key properties of 2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile?
2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile has a molecular weight of 345.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 95309776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).