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

C16H14N4O3 — CID 136998777

IUPACN-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESC=C1C=c2c(nc(C(=O)NCc3cccc(OC)c3)[nH]c2=O)=N1
InChIInChI=1S/C16H14N4O3/c1-9-6-12-13(18-9)19-14(20-15(12)21)16(22)17-8-10-4-3-5-11(7-10)23-2/h3-7H,1,8H2,2H3,(H,17,22)(H,18,19,20,21)
InChIKeyIYWZAEASJOHHMK-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.36
Rot. Bonds4

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

N-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide (PubChem CID 136998777) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
PubChem CID136998777
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESC=C1C=c2c(nc(C(=O)NCc3cccc(OC)c3)[nH]c2=O)=N1
InChIInChI=1S/C16H14N4O3/c1-9-6-12-13(18-9)19-14(20-15(12)21)16(22)17-8-10-4-3-5-11(7-10)23-2/h3-7H,1,8H2,2H3,(H,17,22)(H,18,19,20,21)
InChIKeyIYWZAEASJOHHMK-UHFFFAOYSA-N
XLogP-0.36
TPSA96.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dibromo-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652349
N-[(3-methoxyphenyl)methyl]-4-oxo-5-[(2-phenylacetyl)amino]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652324
[5-[(3-methoxyphenyl)methylcarbamoyl]-3,11-dioxo-8,11λ6-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-ylidene]oxidanium
CID 143679433
2-[4-[[2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl]methoxy]phenyl]acetic acid
CID 59652092
2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid
CID 135982278
6-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethoxy)-3H-quinazoline-2-carboxamide
CID 135995995
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651
N-[(3-methoxyphenyl)methyl]-5-[[4-(methylcarbamoyl)phenyl]methoxymethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652260
ethyl 4-[[2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]methoxymethyl]benzoate
CID 135982350
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide (CID 136998777) is N-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide is C=C1C=c2c(nc(C(=O)NCc3cccc(OC)c3)[nH]c2=O)=N1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is IYWZAEASJOHHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-9-6-12-13(18-9)19-14(20-15(12)21)16(22)17-8-10-4-3-5-11(7-10)23-2/h3-7H,1,8H2,2H3,(H,17,22)(H,18,19,20,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-6-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 310.31 g/mol, XLogP of -0.36, 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-methylidene-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 136998777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).