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

C23H35N5O3 — CID 20864044

IUPACN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NCC1CCN(CC(C)C)C1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H35N5O3/c1-14(2)12-28-10-9-17(13-28)11-24-19(29)8-7-18-15(3)20-21(25-16(18)4)26(5)23(31)27(6)22(20)30/h14,17H,7-13H2,1-6H3,(H,24,29)
InChIKeyMXHDHRSWWGXFKP-UHFFFAOYSA-N
MW429.57 g/mol
LogP1.28
Rot. Bonds7

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

N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (PubChem CID 20864044) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
PubChem CID20864044
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC NameN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NCC1CCN(CC(C)C)C1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H35N5O3/c1-14(2)12-28-10-9-17(13-28)11-24-19(29)8-7-18-15(3)20-21(25-16(18)4)26(5)23(31)27(6)22(20)30/h14,17H,7-13H2,1-6H3,(H,24,29)
InChIKeyMXHDHRSWWGXFKP-UHFFFAOYSA-N
XLogP1.28
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (CID 20864044) is N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is Cc1nc2c(c(C)c1CCC(=O)NCC1CCN(CC(C)C)C1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The InChIKey is MXHDHRSWWGXFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-14(2)12-28-10-9-17(13-28)11-24-19(29)8-7-18-15(3)20-21(25-16(18)4)26(5)23(31)27(6)22(20)30/h14,17H,7-13H2,1-6H3,(H,24,29).
What are the key properties of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide has a molecular weight of 429.57 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20864044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).