N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

C17H16N6O4 — CID 166366418

IUPACN-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cccc(NC(=O)c2c[nH]c3nc[nH]c(=O)c23)c1
InChIInChI=1S/C17H16N6O4/c1-23(7-12(18)24)17(27)9-3-2-4-10(5-9)22-15(25)11-6-19-14-13(11)16(26)21-8-20-14/h2-6,8H,7H2,1H3,(H2,18,24)(H,22,25)(H2,19,20,21,26)
InChIKeyLQWKLPKBQYKBMN-UHFFFAOYSA-N
MW368.35 g/mol
LogP0.06
Rot. Bonds5

About N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 166366418) has the molecular formula C17H16N6O4 and a molecular weight of 368.35 g/mol. Its IUPAC name is N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID166366418
Molecular FormulaC17H16N6O4
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC NameN-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cccc(NC(=O)c2c[nH]c3nc[nH]c(=O)c23)c1
InChIInChI=1S/C17H16N6O4/c1-23(7-12(18)24)17(27)9-3-2-4-10(5-9)22-15(25)11-6-19-14-13(11)16(26)21-8-20-14/h2-6,8H,7H2,1H3,(H2,18,24)(H,22,25)(H2,19,20,21,26)
InChIKeyLQWKLPKBQYKBMN-UHFFFAOYSA-N
XLogP0.06
TPSA154.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166366447
4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167853656
N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167899065
4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167855111
N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 146087147
N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide
CID 47210213
2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136391
N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-6-azaspiro[2.6]nonane-6-carboxamide
CID 126836558
5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide
CID 134046254
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 61110887
N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60786152

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 166366418) is N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is CN(CC(N)=O)C(=O)c1cccc(NC(=O)c2c[nH]c3nc[nH]c(=O)c23)c1.
What is the InChIKey of N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LQWKLPKBQYKBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O4/c1-23(7-12(18)24)17(27)9-3-2-4-10(5-9)22-15(25)11-6-19-14-13(11)16(26)21-8-20-14/h2-6,8H,7H2,1H3,(H2,18,24)(H,22,25)(H2,19,20,21,26).
What are the key properties of N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 368.35 g/mol, XLogP of 0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 166366418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).