(1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate

C19H17N7O4 — CID 56528458

IUPAC(1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3nnnn3-c3ccccc3)cnc21
InChIInChI=1S/C19H17N7O4/c1-2-8-25-16-14(17(27)21-19(25)29)9-12(10-20-16)18(28)30-11-15-22-23-24-26(15)13-6-4-3-5-7-13/h3-7,9-10H,2,8,11H2,1H3,(H,21,27,29)
InChIKeyRBADTSXRRMUZSO-UHFFFAOYSA-N
MW407.39 g/mol
LogP0.83
Rot. Bonds6

About (1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate

(1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 56528458) has the molecular formula C19H17N7O4 and a molecular weight of 407.39 g/mol. Its IUPAC name is (1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID56528458
Molecular FormulaC19H17N7O4
Molecular Weight407.39 g/mol
Exact Mass407.13
IUPAC Name(1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3nnnn3-c3ccccc3)cnc21
InChIInChI=1S/C19H17N7O4/c1-2-8-25-16-14(17(27)21-19(25)29)9-12(10-20-16)18(28)30-11-15-22-23-24-26(15)13-6-4-3-5-7-13/h3-7,9-10H,2,8,11H2,1H3,(H,21,27,29)
InChIKeyRBADTSXRRMUZSO-UHFFFAOYSA-N
XLogP0.83
TPSA137.65 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of (1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate (CID 56528458) is (1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for (1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for (1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3nnnn3-c3ccccc3)cnc21.
What is the InChIKey of (1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is RBADTSXRRMUZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O4/c1-2-8-25-16-14(17(27)21-19(25)29)9-12(10-20-16)18(28)30-11-15-22-23-24-26(15)13-6-4-3-5-7-13/h3-7,9-10H,2,8,11H2,1H3,(H,21,27,29).
What are the key properties of (1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate?
(1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 407.39 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltetrazol-5-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 56528458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).