N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide

C19H20N4O4 — CID 74241367

IUPACN-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide
SMILESO=C1CCC(C(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)NC(=O)N1
InChIInChI=1S/C19H20N4O4/c24-15-5-3-13(4-6-15)11-23(12-14-2-1-9-20-10-14)18(26)16-7-8-17(25)22-19(27)21-16/h1-6,9-10,16,24H,7-8,11-12H2,(H2,21,22,25,27)
InChIKeyPIUCXMBEBIYBRQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.30
Rot. Bonds5

About N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide

N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide (PubChem CID 74241367) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide
PubChem CID74241367
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide
SMILESO=C1CCC(C(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)NC(=O)N1
InChIInChI=1S/C19H20N4O4/c24-15-5-3-13(4-6-15)11-23(12-14-2-1-9-20-10-14)18(26)16-7-8-17(25)22-19(27)21-16/h1-6,9-10,16,24H,7-8,11-12H2,(H2,21,22,25,27)
InChIKeyPIUCXMBEBIYBRQ-UHFFFAOYSA-N
XLogP1.30
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide with MolForge

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Related Compounds

(2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 104859504
5-propyl-N,N-bis(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 75257558
4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 91833864
cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 166254821
(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 104901002
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 29087477
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
1-[(4-hydroxyphenyl)methyl]-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 126431701
1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 33324992
1-benzyl-5-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78792740
1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea
CID 119066854
N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 107000128

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide (CID 74241367) is N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide is O=C1CCC(C(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)NC(=O)N1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide?
The InChIKey is PIUCXMBEBIYBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-15-5-3-13(4-6-15)11-23(12-14-2-1-9-20-10-14)18(26)16-7-8-17(25)22-19(27)21-16/h1-6,9-10,16,24H,7-8,11-12H2,(H2,21,22,25,27).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide?
N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2,7-dioxo-N-(pyridin-3-ylmethyl)-1,3-diazepane-4-carboxamide is sourced from PubChem (CID 74241367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).