N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide

C21H19ClN4O4 — CID 42217324

IUPACN-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCc3ccccc3Cl)n(Cc3ccco3)c2n(C)c1=O
InChIInChI=1S/C21H19ClN4O4/c1-24-19-15(20(28)25(2)21(24)29)10-17(26(19)12-14-7-5-9-30-14)18(27)23-11-13-6-3-4-8-16(13)22/h3-10H,11-12H2,1-2H3,(H,23,27)
InChIKeyQSGKWWYYFCMZLZ-UHFFFAOYSA-N
MW426.86 g/mol
LogP2.26
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide

N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42217324) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID42217324
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC NameN-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCc3ccccc3Cl)n(Cc3ccco3)c2n(C)c1=O
InChIInChI=1S/C21H19ClN4O4/c1-24-19-15(20(28)25(2)21(24)29)10-17(26(19)12-14-7-5-9-30-14)18(27)23-11-13-6-3-4-8-16(13)22/h3-10H,11-12H2,1-2H3,(H,23,27)
InChIKeyQSGKWWYYFCMZLZ-UHFFFAOYSA-N
XLogP2.26
TPSA91.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502114
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517821
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylamino)acetamide
CID 54818991
N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide
CID 20875616
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 53134528
N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331871
2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 50755514
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
CID 109018586
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9165300
N-[(2-chlorophenyl)methyl]-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 42217324) is N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)NCc3ccccc3Cl)n(Cc3ccco3)c2n(C)c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QSGKWWYYFCMZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c1-24-19-15(20(28)25(2)21(24)29)10-17(26(19)12-14-7-5-9-30-14)18(27)23-11-13-6-3-4-8-16(13)22/h3-10H,11-12H2,1-2H3,(H,23,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 426.86 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42217324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).