N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide

C20H29N5O3 — CID 20864041

IUPACN-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NCCN1CCCC1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H29N5O3/c1-13-15(7-8-16(26)21-9-12-25-10-5-6-11-25)14(2)22-18-17(13)19(27)24(4)20(28)23(18)3/h5-12H2,1-4H3,(H,21,26)
InChIKeyPNYTYSNTARIASI-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.39
Rot. Bonds6

About N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide

N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (PubChem CID 20864041) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
PubChem CID20864041
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NCCN1CCCC1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H29N5O3/c1-13-15(7-8-16(26)21-9-12-25-10-5-6-11-25)14(2)22-18-17(13)19(27)24(4)20(28)23(18)3/h5-12H2,1-4H3,(H,21,26)
InChIKeyPNYTYSNTARIASI-UHFFFAOYSA-N
XLogP0.39
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864076
N-cycloheptyl-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864025
N-(3,4-dimethylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864152
N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864146
N-(2,4-dimethylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864151
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55723342
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 30540760
N-[2-(3-oxocyclobutyl)ethyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 166307974
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615799
N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604257
N-[3-(methylamino)propyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119433515
1,3,7-trimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007746

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (CID 20864041) is N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is Cc1nc2c(c(C)c1CCC(=O)NCCN1CCCC1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The InChIKey is PNYTYSNTARIASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-13-15(7-8-16(26)21-9-12-25-10-5-6-11-25)14(2)22-18-17(13)19(27)24(4)20(28)23(18)3/h5-12H2,1-4H3,(H,21,26).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide has a molecular weight of 387.48 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20864041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).