1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride

C15H21Cl2N5O3 — CID 119837924

IUPAC1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(=O)c2cc(NC(=O)C3(N)CCCC3)cnc2n(C)c1=O
InChIInChI=1S/C15H19N5O3.2ClH/c1-19-11-10(12(21)20(2)14(19)23)7-9(8-17-11)18-13(22)15(16)5-3-4-6-15;;/h7-8H,3-6,16H2,1-2H3,(H,18,22);2*1H
InChIKeyLKXZMWYVNUGZJR-UHFFFAOYSA-N
MW390.27 g/mol
LogP0.69
Rot. Bonds2

About 1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119837924) has the molecular formula C15H21Cl2N5O3 and a molecular weight of 390.27 g/mol. Its IUPAC name is 1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119837924
Molecular FormulaC15H21Cl2N5O3
Molecular Weight390.27 g/mol
Exact Mass389.10
IUPAC Name1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(=O)c2cc(NC(=O)C3(N)CCCC3)cnc2n(C)c1=O
InChIInChI=1S/C15H19N5O3.2ClH/c1-19-11-10(12(21)20(2)14(19)23)7-9(8-17-11)18-13(22)15(16)5-3-4-6-15;;/h7-8H,3-6,16H2,1-2H3,(H,18,22);2*1H
InChIKeyLKXZMWYVNUGZJR-UHFFFAOYSA-N
XLogP0.69
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 55457481
2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride
CID 119837912
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)oxolane-2-carboxamide
CID 134009005
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-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide
CID 132971059
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)piperidine-2-carboxamide
CID 119837919
3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119837917
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-fluorophenyl)propanamide
CID 55457312
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2,5-difluorobenzamide
CID 134009067
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide
CID 134009089
4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
CID 134008963
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55456783

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride (CID 119837924) is 1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.Cn1c(=O)c2cc(NC(=O)C3(N)CCCC3)cnc2n(C)c1=O.
What is the InChIKey of 1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is LKXZMWYVNUGZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3.2ClH/c1-19-11-10(12(21)20(2)14(19)23)7-9(8-17-11)18-13(22)15(16)5-3-4-6-15;;/h7-8H,3-6,16H2,1-2H3,(H,18,22);2*1H.
What are the key properties of 1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 390.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119837924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).