(3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide

C25H28N4O — CID 134143901

IUPAC(3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2)c2ccncc2[C@H](C)N1C(=O)NCc1ccccc1
InChIInChI=1S/C25H28N4O/c1-19-17-28(18-22-11-7-4-8-12-22)24-13-14-26-16-23(24)20(2)29(19)25(30)27-15-21-9-5-3-6-10-21/h3-14,16,19-20H,15,17-18H2,1-2H3,(H,27,30)/t19-,20+/m1/s1
InChIKeyFXQIXJJVPMVJQZ-UXHICEINSA-N
MW400.53 g/mol
LogP4.76
Rot. Bonds4

About (3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide

(3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide (PubChem CID 134143901) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide
PubChem CID134143901
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2)c2ccncc2[C@H](C)N1C(=O)NCc1ccccc1
InChIInChI=1S/C25H28N4O/c1-19-17-28(18-22-11-7-4-8-12-22)24-13-14-26-16-23(24)20(2)29(19)25(30)27-15-21-9-5-3-6-10-21/h3-14,16,19-20H,15,17-18H2,1-2H3,(H,27,30)/t19-,20+/m1/s1
InChIKeyFXQIXJJVPMVJQZ-UXHICEINSA-N
XLogP4.76
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R,5S)-N-benzyl-3,5-dimethyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 134147890
(3R,5S)-N,1-dibenzyl-8-chloro-3,5-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
CID 134143554
(3R,5S)-1-benzyl-8-methoxy-3,5-dimethyl-N-pyridin-3-yl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 134147643
(3R,5S)-1-benzyl-3,5-dimethyl-8-methylsulfonyl-N-pyridin-3-yl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 134157075
(3R,5S)-1-benzyl-6-fluoro-3,5-dimethyl-N-pyridin-3-yl-3,5-dihydro-2H-pyrido[3,4-e][1,4]diazepine-4-carboxamide
CID 134133339
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide
CID 100709801
(3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 101357683
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 110640106
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide?
The IUPAC name of (3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide (CID 134143901) is (3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide.
What is the SMILES notation for (3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide?
The canonical SMILES for (3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide is C[C@@H]1CN(Cc2ccccc2)c2ccncc2[C@H](C)N1C(=O)NCc1ccccc1.
What is the InChIKey of (3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide?
The InChIKey is FXQIXJJVPMVJQZ-UXHICEINSA-N. The full InChI is InChI=1S/C25H28N4O/c1-19-17-28(18-22-11-7-4-8-12-22)24-13-14-26-16-23(24)20(2)29(19)25(30)27-15-21-9-5-3-6-10-21/h3-14,16,19-20H,15,17-18H2,1-2H3,(H,27,30)/t19-,20+/m1/s1.
What are the key properties of (3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide?
(3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide is sourced from PubChem (CID 134143901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).