(7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide

C16H17N5O2 — CID 124622403

IUPAC(7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide
SMILESO=C1C[C@H](c2ccccc2)N(C(=O)Nc2ccncn2)CCN1
InChIInChI=1S/C16H17N5O2/c22-15-10-13(12-4-2-1-3-5-12)21(9-8-18-15)16(23)20-14-6-7-17-11-19-14/h1-7,11,13H,8-10H2,(H,18,22)(H,17,19,20,23)/t13-/m1/s1
InChIKeyIEHIWUHWODLLTN-CYBMUJFWSA-N
MW311.35 g/mol
LogP1.57
Rot. Bonds2

About (7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide

(7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide (PubChem CID 124622403) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is (7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name(7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide
PubChem CID124622403
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name(7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide
SMILESO=C1C[C@H](c2ccccc2)N(C(=O)Nc2ccncn2)CCN1
InChIInChI=1S/C16H17N5O2/c22-15-10-13(12-4-2-1-3-5-12)21(9-8-18-15)16(23)20-14-6-7-17-11-19-14/h1-7,11,13H,8-10H2,(H,18,22)(H,17,19,20,23)/t13-/m1/s1
InChIKeyIEHIWUHWODLLTN-CYBMUJFWSA-N
XLogP1.57
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
CID 102562775
(7R)-N-(2-nitrophenyl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
CID 51961669
5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 136579285
4-[(5-oxo-7-phenyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122023249
(7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 95140593
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
CID 86876802
(7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one
CID 95144787
7-phenyl-1-(3,3,3-trifluoropropanoyl)-1,4-diazepan-5-one
CID 56819649
(7R)-1-[(2S)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195535
(7S)-1-[(2R)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195538
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 120623924
(7R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]-7-phenyl-1,4-diazepan-5-one
CID 95283420

Frequently Asked Questions

What is the IUPAC name of (7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide?
The IUPAC name of (7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide (CID 124622403) is (7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for (7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide?
The canonical SMILES for (7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide is O=C1C[C@H](c2ccccc2)N(C(=O)Nc2ccncn2)CCN1.
What is the InChIKey of (7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide?
The InChIKey is IEHIWUHWODLLTN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15-10-13(12-4-2-1-3-5-12)21(9-8-18-15)16(23)20-14-6-7-17-11-19-14/h1-7,11,13H,8-10H2,(H,18,22)(H,17,19,20,23)/t13-/m1/s1.
What are the key properties of (7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide?
(7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 124622403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).