N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

C16H25Cl2N5O3 — CID 119571068

IUPACN-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.Cl.Cl
InChIInChI=1S/C16H23N5O3.2ClH/c1-5-16(6-2,9-17)19-13(22)11-8-7-10-12(18-11)20(3)15(24)21(4)14(10)23;;/h7-8H,5-6,9,17H2,1-4H3,(H,19,22);2*1H
InChIKeyJZHATRQKOYCRQW-UHFFFAOYSA-N
MW406.31 g/mol
LogP0.72
Rot. Bonds5

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

N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (PubChem CID 119571068) has the molecular formula C16H25Cl2N5O3 and a molecular weight of 406.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
PubChem CID119571068
Molecular FormulaC16H25Cl2N5O3
Molecular Weight406.31 g/mol
Exact Mass405.13
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.Cl.Cl
InChIInChI=1S/C16H23N5O3.2ClH/c1-5-16(6-2,9-17)19-13(22)11-8-7-10-12(18-11)20(3)15(24)21(4)14(10)23;;/h7-8H,5-6,9,17H2,1-4H3,(H,19,22);2*1H
InChIKeyJZHATRQKOYCRQW-UHFFFAOYSA-N
XLogP0.72
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119574889
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 119611558
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30853289
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55929786
1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39628674
1,3-dimethyl-2,4-dioxo-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39630963
N-(1-adamantyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 46597508
7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 120803641
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39300001
N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55577042

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (CID 119571068) is N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is CCC(CC)(CN)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.Cl.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The InChIKey is JZHATRQKOYCRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3.2ClH/c1-5-16(6-2,9-17)19-13(22)11-8-7-10-12(18-11)20(3)15(24)21(4)14(10)23;;/h7-8H,5-6,9,17H2,1-4H3,(H,19,22);2*1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride has a molecular weight of 406.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is sourced from PubChem (CID 119571068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).