1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

C14H21Cl2N5O3 — CID 119432864

IUPAC1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.Cl.Cl
InChIInChI=1S/C14H19N5O3.2ClH/c1-15-7-4-8-16-12(20)10-6-5-9-11(17-10)18(2)14(22)19(3)13(9)21;;/h5-6,15H,4,7-8H2,1-3H3,(H,16,20);2*1H
InChIKeyNLBFYEXPYDLIRB-UHFFFAOYSA-N
MW378.26 g/mol
LogP-0.18
Rot. Bonds5

About 1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (PubChem CID 119432864) has the molecular formula C14H21Cl2N5O3 and a molecular weight of 378.26 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
PubChem CID119432864
Molecular FormulaC14H21Cl2N5O3
Molecular Weight378.26 g/mol
Exact Mass377.10
IUPAC Name1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.Cl.Cl
InChIInChI=1S/C14H19N5O3.2ClH/c1-15-7-4-8-16-12(20)10-6-5-9-11(17-10)18(2)14(22)19(3)13(9)21;;/h5-6,15H,4,7-8H2,1-3H3,(H,16,20);2*1H
InChIKeyNLBFYEXPYDLIRB-UHFFFAOYSA-N
XLogP-0.18
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The IUPAC name of 1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (CID 119432864) is 1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.
What is the SMILES notation for 1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The canonical SMILES for 1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is CNCCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.Cl.Cl.
What is the InChIKey of 1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The InChIKey is NLBFYEXPYDLIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3.2ClH/c1-15-7-4-8-16-12(20)10-6-5-9-11(17-10)18(2)14(22)19(3)13(9)21;;/h5-6,15H,4,7-8H2,1-3H3,(H,16,20);2*1H.
What are the key properties of 1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride has a molecular weight of 378.26 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is sourced from PubChem (CID 119432864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).