2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

C20H23N5O4 — CID 55963391

IUPAC2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3ccc(OC(C)C)nc3)cnc21
InChIInChI=1S/C20H23N5O4/c1-4-7-25-17-15(19(27)24-20(25)28)8-14(11-22-17)18(26)23-10-13-5-6-16(21-9-13)29-12(2)3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,23,26)(H,24,27,28)
InChIKeyJMCRHENSZBGQPZ-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.61
Rot. Bonds7

About 2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55963391) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55963391
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3ccc(OC(C)C)nc3)cnc21
InChIInChI=1S/C20H23N5O4/c1-4-7-25-17-15(19(27)24-20(25)28)8-14(11-22-17)18(26)23-10-13-5-6-16(21-9-13)29-12(2)3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,23,26)(H,24,27,28)
InChIKeyJMCRHENSZBGQPZ-UHFFFAOYSA-N
XLogP1.61
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 55963391) is 2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3ccc(OC(C)C)nc3)cnc21.
What is the InChIKey of 2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JMCRHENSZBGQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-4-7-25-17-15(19(27)24-20(25)28)8-14(11-22-17)18(26)23-10-13-5-6-16(21-9-13)29-12(2)3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,23,26)(H,24,27,28).
What are the key properties of 2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55963391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).