N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride

C15H23Cl2N5O3 — CID 119384958

IUPACN-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NCCN)cc(C(C)C)nc21.Cl.Cl
InChIInChI=1S/C15H21N5O3.2ClH/c1-4-20-12-11(14(22)19-15(20)23)9(13(21)17-6-5-16)7-10(18-12)8(2)3;;/h7-8H,4-6,16H2,1-3H3,(H,17,21)(H,19,22,23);2*1H
InChIKeyQWTXWRLBWHOLQA-UHFFFAOYSA-N
MW392.29 g/mol
LogP0.76
Rot. Bonds5

About N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride

N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (PubChem CID 119384958) has the molecular formula C15H23Cl2N5O3 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
PubChem CID119384958
Molecular FormulaC15H23Cl2N5O3
Molecular Weight392.29 g/mol
Exact Mass391.12
IUPAC NameN-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NCCN)cc(C(C)C)nc21.Cl.Cl
InChIInChI=1S/C15H21N5O3.2ClH/c1-4-20-12-11(14(22)19-15(20)23)9(13(21)17-6-5-16)7-10(18-12)8(2)3;;/h7-8H,4-6,16H2,1-3H3,(H,17,21)(H,19,22,23);2*1H
InChIKeyQWTXWRLBWHOLQA-UHFFFAOYSA-N
XLogP0.76
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119384530
N-(2-aminoethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119382183
1-ethyl-N-(4-methylpentyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 33077897
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 18802061
1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119389673
1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119453510
N-(3,4-difluorophenyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39297501
1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266426
1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267700
N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119642692
N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119604468
N-[(3-bromo-5-fluorophenyl)methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55978596

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (CID 119384958) is N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCN)cc(C(C)C)nc21.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The InChIKey is QWTXWRLBWHOLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3.2ClH/c1-4-20-12-11(14(22)19-15(20)23)9(13(21)17-6-5-16)7-10(18-12)8(2)3;;/h7-8H,4-6,16H2,1-3H3,(H,17,21)(H,19,22,23);2*1H.
What are the key properties of N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride has a molecular weight of 392.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119384958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).