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

C20H15ClN4O4 — CID 56738088

IUPACN-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(cc1C(=O)Nc1ccccc1Cl)c(=O)[nH]c(=O)n2Cc1ccco1
InChIInChI=1S/C20H15ClN4O4/c1-11-13(18(26)23-16-7-3-2-6-15(16)21)9-14-17(22-11)25(20(28)24-19(14)27)10-12-5-4-8-29-12/h2-9H,10H2,1H3,(H,23,26)(H,24,27,28)
InChIKeyIFYLQAVUUMIFRQ-UHFFFAOYSA-N
MW410.82 g/mol
LogP2.94
Rot. Bonds4

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

N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56738088) has the molecular formula C20H15ClN4O4 and a molecular weight of 410.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID56738088
Molecular FormulaC20H15ClN4O4
Molecular Weight410.82 g/mol
Exact Mass410.08
IUPAC NameN-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(cc1C(=O)Nc1ccccc1Cl)c(=O)[nH]c(=O)n2Cc1ccco1
InChIInChI=1S/C20H15ClN4O4/c1-11-13(18(26)23-16-7-3-2-6-15(16)21)9-14-17(22-11)25(20(28)24-19(14)27)10-12-5-4-8-29-12/h2-9H,10H2,1H3,(H,23,26)(H,24,27,28)
InChIKeyIFYLQAVUUMIFRQ-UHFFFAOYSA-N
XLogP2.94
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.82
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498823
1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66495728
1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498762
N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498667
1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498750
7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498745
N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
CID 23040785
N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide
CID 23040529
N-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56737907
2-methoxyethyl 1-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66498784
N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30605699
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 56738088) is N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1nc2c(cc1C(=O)Nc1ccccc1Cl)c(=O)[nH]c(=O)n2Cc1ccco1.
What is the InChIKey of N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IFYLQAVUUMIFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O4/c1-11-13(18(26)23-16-7-3-2-6-15(16)21)9-14-17(22-11)25(20(28)24-19(14)27)10-12-5-4-8-29-12/h2-9H,10H2,1H3,(H,23,26)(H,24,27,28).
What are the key properties of N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 410.82 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56738088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).