1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide

C20H26N4O3 — CID 100842725

IUPAC1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cnc2n(C)c1=O
InChIInChI=1S/C20H26N4O3/c1-19(2)12-6-7-20(19,3)14(9-12)22-16(25)11-8-13-15(21-10-11)23(4)18(27)24(5)17(13)26/h8,10,12,14H,6-7,9H2,1-5H3,(H,22,25)/t12-,14+,20-/m1/s1
InChIKeyFRQYMCZULOACHJ-TUXXCZFBSA-N
MW370.45 g/mol
LogP1.58
Rot. Bonds2

About 1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide

1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 100842725) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID100842725
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cnc2n(C)c1=O
InChIInChI=1S/C20H26N4O3/c1-19(2)12-6-7-20(19,3)14(9-12)22-16(25)11-8-13-15(21-10-11)23(4)18(27)24(5)17(13)26/h8,10,12,14H,6-7,9H2,1-5H3,(H,22,25)/t12-,14+,20-/m1/s1
InChIKeyFRQYMCZULOACHJ-TUXXCZFBSA-N
XLogP1.58
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 100842725) is 1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FRQYMCZULOACHJ-TUXXCZFBSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-19(2)12-6-7-20(19,3)14(9-12)22-16(25)11-8-13-15(21-10-11)23(4)18(27)24(5)17(13)26/h8,10,12,14H,6-7,9H2,1-5H3,(H,22,25)/t12-,14+,20-/m1/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 100842725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).