1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C19H18N6O3 — CID 131918667

IUPAC1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc2nc(CNC(=O)c3cc(C)nc4c3c(=O)[nH]c(=O)n4C)[nH]c2c1
InChIInChI=1S/C19H18N6O3/c1-9-4-5-12-13(6-9)23-14(22-12)8-20-17(26)11-7-10(2)21-16-15(11)18(27)24-19(28)25(16)3/h4-7H,8H2,1-3H3,(H,20,26)(H,22,23)(H,24,27,28)
InChIKeyKTNZVMACENGCLH-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.04
Rot. Bonds3

About 1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 131918667) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID131918667
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc2nc(CNC(=O)c3cc(C)nc4c3c(=O)[nH]c(=O)n4C)[nH]c2c1
InChIInChI=1S/C19H18N6O3/c1-9-4-5-12-13(6-9)23-14(22-12)8-20-17(26)11-7-10(2)21-16-15(11)18(27)24-19(28)25(16)3/h4-7H,8H2,1-3H3,(H,20,26)(H,22,23)(H,24,27,28)
InChIKeyKTNZVMACENGCLH-UHFFFAOYSA-N
XLogP1.04
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 131918667) is 1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is Cc1ccc2nc(CNC(=O)c3cc(C)nc4c3c(=O)[nH]c(=O)n4C)[nH]c2c1.
What is the InChIKey of 1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KTNZVMACENGCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-9-4-5-12-13(6-9)23-14(22-12)8-20-17(26)11-7-10(2)21-16-15(11)18(27)24-19(28)25(16)3/h4-7H,8H2,1-3H3,(H,20,26)(H,22,23)(H,24,27,28).
What are the key properties of 1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 131918667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).