2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

C22H22N6O3 — CID 55555466

IUPAC2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCc3cnn(-c4ccccc4)c3)cnc21
InChIInChI=1S/C22H22N6O3/c1-2-10-27-19-18(21(30)26-22(27)31)11-16(13-24-19)20(29)23-9-8-15-12-25-28(14-15)17-6-4-3-5-7-17/h3-7,11-14H,2,8-10H2,1H3,(H,23,29)(H,26,30,31)
InChIKeyYVIMEWCKXSOIDH-UHFFFAOYSA-N
MW418.46 g/mol
LogP1.65
Rot. Bonds7

About 2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55555466) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55555466
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCc3cnn(-c4ccccc4)c3)cnc21
InChIInChI=1S/C22H22N6O3/c1-2-10-27-19-18(21(30)26-22(27)31)11-16(13-24-19)20(29)23-9-8-15-12-25-28(14-15)17-6-4-3-5-7-17/h3-7,11-14H,2,8-10H2,1H3,(H,23,29)(H,26,30,31)
InChIKeyYVIMEWCKXSOIDH-UHFFFAOYSA-N
XLogP1.65
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 37137967
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 39984479
N-(2-ethoxyethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 87046001
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55970852
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 86930470
2,4-dioxo-1-propyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553541
N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46554711
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55992153
2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55963391
N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 36709707

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 55555466) is 2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCc3cnn(-c4ccccc4)c3)cnc21.
What is the InChIKey of 2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YVIMEWCKXSOIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-2-10-27-19-18(21(30)26-22(27)31)11-16(13-24-19)20(29)23-9-8-15-12-25-28(14-15)17-6-4-3-5-7-17/h3-7,11-14H,2,8-10H2,1H3,(H,23,29)(H,26,30,31).
What are the key properties of 2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 1.65, 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-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55555466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).