N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C15H21N5O3 — CID 119495332

IUPACN-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCCC(C)N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H21N5O3/c1-8-7-10(13(21)17-6-5-9(2)16)18-12-11(8)14(22)20(4)15(23)19(12)3/h7,9H,5-6,16H2,1-4H3,(H,17,21)
InChIKeyJMLLTJRAMZFDLC-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.59
Rot. Bonds4

About N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 119495332) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID119495332
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC NameN-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCCC(C)N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H21N5O3/c1-8-7-10(13(21)17-6-5-9(2)16)18-12-11(8)14(22)20(4)15(23)19(12)3/h7,9H,5-6,16H2,1-4H3,(H,17,21)
InChIKeyJMLLTJRAMZFDLC-UHFFFAOYSA-N
XLogP-0.59
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 119495332) is N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cc1cc(C(=O)NCCC(C)N)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is JMLLTJRAMZFDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-8-7-10(13(21)17-6-5-9(2)16)18-12-11(8)14(22)20(4)15(23)19(12)3/h7,9H,5-6,16H2,1-4H3,(H,17,21).
What are the key properties of N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 119495332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).