N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide

C19H16N4O3 — CID 123951022

IUPACN-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=NCc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H16N4O3/c24-18-15(11-20-16(22-18)12-21-26)19(25)23-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,17H,12H2,(H,23,25)(H,20,22,24)
InChIKeyXIRSJMOIAHTHON-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.56
Rot. Bonds6

About N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide

N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 123951022) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID123951022
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=NCc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H16N4O3/c24-18-15(11-20-16(22-18)12-21-26)19(25)23-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,17H,12H2,(H,23,25)(H,20,22,24)
InChIKeyXIRSJMOIAHTHON-UHFFFAOYSA-N
XLogP2.56
TPSA104.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 89464424
5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide
CID 90341537
5-[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidin-2-yl]-2-hydroxy-2-methyl-5-oxopentanoic acid
CID 148748647
N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 90346975
N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide;N-benzhydryl-2-[(E)-hydroxyiminomethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 172964660
N-benzhydryl-2-(3-diethoxyphosphorylpropanoyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 159834093
N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide
CID 89463204
[[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino] propanoate
CID 145057835
2-[[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]ethanesulfonic acid
CID 71533348
methyl-[4-[(S)-[(6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phenyl]phosphinic acid;sulfane
CID 160962027
5-N-benzhydryl-2-N-(diethoxyphosphanylmethyl)-6-oxo-1H-pyrimidine-2,5-dicarboxamide
CID 129057663
ethoxycarbonyloxymethyl 2-[[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]acetate
CID 121276613

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 123951022) is N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide is O=NCc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XIRSJMOIAHTHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-18-15(11-20-16(22-18)12-21-26)19(25)23-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,17H,12H2,(H,23,25)(H,20,22,24).
What are the key properties of N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 123951022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).