(4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile

C24H21N3O2 — CID 134715975

IUPAC(4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILES[H]/N=C1\Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H](Cc2ccccc2)C1C#N
InChIInChI=1S/C24H21N3O2/c1-16-12-21-22(24(28)27(16)15-18-10-6-3-7-11-18)19(20(14-25)23(26)29-21)13-17-8-4-2-5-9-17/h2-12,19-20,26H,13,15H2,1H3/b26-23-/t19-,20?/m1/s1
InChIKeyZVHLIXPZTJKBIU-YJOFWFLWSA-N
MW383.45 g/mol
LogP4.04
Rot. Bonds4

About (4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile

(4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 134715975) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID134715975
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILES[H]/N=C1\Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H](Cc2ccccc2)C1C#N
InChIInChI=1S/C24H21N3O2/c1-16-12-21-22(24(28)27(16)15-18-10-6-3-7-11-18)19(20(14-25)23(26)29-21)13-17-8-4-2-5-9-17/h2-12,19-20,26H,13,15H2,1H3/b26-23-/t19-,20?/m1/s1
InChIKeyZVHLIXPZTJKBIU-YJOFWFLWSA-N
XLogP4.04
TPSA78.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 2754042
(4R)-4-(2-fluorophenyl)-2-imino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 134715979
4-(2-Fluorophenyl)-2-imino-7-methyl-5-oxo-6-(2-phenylethyl)-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 145919702
2-amino-4,6-dibenzyl-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4207535
(4S)-2-amino-6-benzyl-4-(2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1541522
(4R)-2-amino-6-benzyl-4-(2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1541523
2-amino-6-benzyl-4-(2-fluorophenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3791217
(R)-2-amino-4-benzyl-6-benzyl-7-methyl-5-oxo-1-oxa-6-aza-5,6-dihydro-4H-naphthalene-3-carbonitrile
CID 1541048
4,6-Dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 132468473
6-Benzyl-4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 145919701
2-Imino-6-methyl-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 91076282
4-(3-Bromophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 91227642

Frequently Asked Questions

What is the IUPAC name of (4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of (4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 134715975) is (4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for (4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for (4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile is [H]/N=C1\Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H](Cc2ccccc2)C1C#N.
What is the InChIKey of (4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is ZVHLIXPZTJKBIU-YJOFWFLWSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-12-21-22(24(28)27(16)15-18-10-6-3-7-11-18)19(20(14-25)23(26)29-21)13-17-8-4-2-5-9-17/h2-12,19-20,26H,13,15H2,1H3/b26-23-/t19-,20?/m1/s1.
What are the key properties of (4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
(4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 383.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,6-dibenzyl-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 134715975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).