1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

C21H25N5O4 — CID 53027797

IUPAC1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)c2c(C(=O)NCc3cccnc3)cc(=O)n(CCC)c2n(C)c1=O
InChIInChI=1S/C21H25N5O4/c1-4-9-25-16(27)11-15(18(28)23-13-14-7-6-8-22-12-14)17-19(25)24(3)21(30)26(10-5-2)20(17)29/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,23,28)
InChIKeyBRCDDRUCBMRDDZ-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.01
Rot. Bonds7

About 1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53027797) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53027797
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)c2c(C(=O)NCc3cccnc3)cc(=O)n(CCC)c2n(C)c1=O
InChIInChI=1S/C21H25N5O4/c1-4-9-25-16(27)11-15(18(28)23-13-14-7-6-8-22-12-14)17-19(25)24(3)21(30)26(10-5-2)20(17)29/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,23,28)
InChIKeyBRCDDRUCBMRDDZ-UHFFFAOYSA-N
XLogP1.01
TPSA107.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

7-fluoro-1-oxo-2-propyl-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 172904800
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
1-butyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587717
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 171701221
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267700
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 25248015
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (CID 53027797) is 1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)c2c(C(=O)NCc3cccnc3)cc(=O)n(CCC)c2n(C)c1=O.
What is the InChIKey of 1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BRCDDRUCBMRDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-4-9-25-16(27)11-15(18(28)23-13-14-7-6-8-22-12-14)17-19(25)24(3)21(30)26(10-5-2)20(17)29/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,23,28).
What are the key properties of 1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?
1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4,7-trioxo-3,8-dipropyl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53027797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).