N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide

C17H18N4O3 — CID 135982344

IUPACN-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3c(cc(C)n3C)c(=O)[nH]2)c1
InChIInChI=1S/C17H18N4O3/c1-10-7-13-15(21(10)2)19-14(20-16(13)22)17(23)18-9-11-5-4-6-12(8-11)24-3/h4-8H,9H2,1-3H3,(H,18,23)(H,19,20,22)
InChIKeyKPNIESKPDDKLQX-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.51
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide (PubChem CID 135982344) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
PubChem CID135982344
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3c(cc(C)n3C)c(=O)[nH]2)c1
InChIInChI=1S/C17H18N4O3/c1-10-7-13-15(21(10)2)19-14(20-16(13)22)17(23)18-9-11-5-4-6-12(8-11)24-3/h4-8H,9H2,1-3H3,(H,18,23)(H,19,20,22)
InChIKeyKPNIESKPDDKLQX-UHFFFAOYSA-N
XLogP1.51
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-Methoxyphenyl)-2-oxoethyl]-5-(3-methylbut-2-enyl)-4-oxo-6-piperazin-1-ylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 23633837
N-[(3-methoxyphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248893
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-(4-phenoxy-phenylamino)-nicotinamide
CID 118038480
N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 135982291
N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 135982356
2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749911
Pyrrolo-pyrimidone, 5
CID 135874061
N-(2-methoxy-5-methylphenyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3379882
N-(3,4-dimethoxyphenyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3682292
N~1~-(3-methoxybenzyl)-3-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]propanamide
CID 16018795
3-Butyl-8-(3-methoxyphenyl)-7-methylpurine-2,6-dione
CID 4584497
N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carboxamide
CID 135982351

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide (CID 135982344) is N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide is COc1cccc(CNC(=O)c2nc3c(cc(C)n3C)c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is KPNIESKPDDKLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10-7-13-15(21(10)2)19-14(20-16(13)22)17(23)18-9-11-5-4-6-12(8-11)24-3/h4-8H,9H2,1-3H3,(H,18,23)(H,19,20,22).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135982344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).