N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride

C17H25Cl2N5O3 — CID 119609674

IUPACN-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(=O)c2cc(C(=O)NC3CCCCC3CN)cnc2n(C)c1=O
InChIInChI=1S/C17H23N5O3.2ClH/c1-21-14-12(16(24)22(2)17(21)25)7-11(9-19-14)15(23)20-13-6-4-3-5-10(13)8-18;;/h7,9-10,13H,3-6,8,18H2,1-2H3,(H,20,23);2*1H
InChIKeyYKROEGMXHRXHGU-UHFFFAOYSA-N
MW418.33 g/mol
LogP0.72
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride

N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride (PubChem CID 119609674) has the molecular formula C17H25Cl2N5O3 and a molecular weight of 418.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
PubChem CID119609674
Molecular FormulaC17H25Cl2N5O3
Molecular Weight418.33 g/mol
Exact Mass417.13
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(=O)c2cc(C(=O)NC3CCCCC3CN)cnc2n(C)c1=O
InChIInChI=1S/C17H23N5O3.2ClH/c1-21-14-12(16(24)22(2)17(21)25)7-11(9-19-14)15(23)20-13-6-4-3-5-10(13)8-18;;/h7,9-10,13H,3-6,8,18H2,1-2H3,(H,20,23);2*1H
InChIKeyYKROEGMXHRXHGU-UHFFFAOYSA-N
XLogP0.72
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 119609675
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 119611558
N-[2-(cycloheptylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119619498
1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
1,3-dimethyl-N-(2-methylbutan-2-yl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86919548
N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517831
1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 100842725
N-[2-(aminomethyl)cyclopentyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119600860
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78903699
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
1,3-dimethyl-2,4-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 35252385
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 138999464

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride (CID 119609674) is N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride is Cl.Cl.Cn1c(=O)c2cc(C(=O)NC3CCCCC3CN)cnc2n(C)c1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
The InChIKey is YKROEGMXHRXHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3.2ClH/c1-21-14-12(16(24)22(2)17(21)25)7-11(9-19-14)15(23)20-13-6-4-3-5-10(13)8-18;;/h7,9-10,13H,3-6,8,18H2,1-2H3,(H,20,23);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride has a molecular weight of 418.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride is sourced from PubChem (CID 119609674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).