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

C14H21Cl2N5O3 — CID 119837912

IUPAC2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C.Cl.Cl
InChIInChI=1S/C14H19N5O3.2ClH/c1-4-5-10(15)12(20)17-8-6-9-11(16-7-8)18(2)14(22)19(3)13(9)21;;/h6-7,10H,4-5,15H2,1-3H3,(H,17,20);2*1H
InChIKeyHNYKJPYVFLBWGR-UHFFFAOYSA-N
MW378.26 g/mol
LogP0.54
Rot. Bonds4

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

2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride (PubChem CID 119837912) has the molecular formula C14H21Cl2N5O3 and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride
PubChem CID119837912
Molecular FormulaC14H21Cl2N5O3
Molecular Weight378.26 g/mol
Exact Mass377.10
IUPAC Name2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C.Cl.Cl
InChIInChI=1S/C14H19N5O3.2ClH/c1-4-5-10(15)12(20)17-8-6-9-11(16-7-8)18(2)14(22)19(3)13(9)21;;/h6-7,10H,4-5,15H2,1-3H3,(H,17,20);2*1H
InChIKeyHNYKJPYVFLBWGR-UHFFFAOYSA-N
XLogP0.54
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride with MolForge

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide
CID 132971059
1-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119837924
4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
CID 134008963
3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122076138
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 134009111
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-phenylbutanamide
CID 134008986
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 43710001
3-(2-chlorophenyl)sulfanyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 134008966
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2-imidazol-1-ylethyl)urea
CID 51081989
3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 55607526
3-amino-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutanoic acid
CID 64896286

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride (CID 119837912) is 2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride is CCCC(N)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C.Cl.Cl.
What is the InChIKey of 2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride?
The InChIKey is HNYKJPYVFLBWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3.2ClH/c1-4-5-10(15)12(20)17-8-6-9-11(16-7-8)18(2)14(22)19(3)13(9)21;;/h6-7,10H,4-5,15H2,1-3H3,(H,17,20);2*1H.
What are the key properties of 2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride?
2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride has a molecular weight of 378.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride is sourced from PubChem (CID 119837912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).