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

C17H25Cl2N5O3 — CID 119453510

IUPAC1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCNC3)cc(C(C)C)nc21.Cl.Cl
InChIInChI=1S/C17H23N5O3.2ClH/c1-4-22-14-13(16(24)21-17(22)25)11(7-12(20-14)9(2)3)15(23)19-10-5-6-18-8-10;;/h7,9-10,18H,4-6,8H2,1-3H3,(H,19,23)(H,21,24,25);2*1H
InChIKeyQJKUYQHQTGVSQM-UHFFFAOYSA-N
MW418.33 g/mol
LogP1.16
Rot. Bonds4

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

1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (PubChem CID 119453510) has the molecular formula C17H25Cl2N5O3 and a molecular weight of 418.33 g/mol. Its IUPAC name is 1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
PubChem CID119453510
Molecular FormulaC17H25Cl2N5O3
Molecular Weight418.33 g/mol
Exact Mass417.13
IUPAC Name1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCNC3)cc(C(C)C)nc21.Cl.Cl
InChIInChI=1S/C17H23N5O3.2ClH/c1-4-22-14-13(16(24)21-17(22)25)11(7-12(20-14)9(2)3)15(23)19-10-5-6-18-8-10;;/h7,9-10,18H,4-6,8H2,1-3H3,(H,19,23)(H,21,24,25);2*1H
InChIKeyQJKUYQHQTGVSQM-UHFFFAOYSA-N
XLogP1.16
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119389673
2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119427769
cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675692
1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 120574490
N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119384958
N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119604468
1-ethyl-5-[4-(methylamino)piperidine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119563336
2,4-dioxo-N-(piperidin-3-ylmethyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119463221
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 120659133
N-methyl-2,4-dioxo-7-propan-2-yl-1-propyl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119553350
1-(2-methylpropyl)-N-(6-oxaspiro[4.5]decan-9-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 139009288
N-(3,4-difluorophenyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39297501

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The IUPAC name of 1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (CID 119453510) is 1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.
What is the SMILES notation for 1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The canonical SMILES for 1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is CCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCNC3)cc(C(C)C)nc21.Cl.Cl.
What is the InChIKey of 1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The InChIKey is QJKUYQHQTGVSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3.2ClH/c1-4-22-14-13(16(24)21-17(22)25)11(7-12(20-14)9(2)3)15(23)19-10-5-6-18-8-10;;/h7,9-10,18H,4-6,8H2,1-3H3,(H,19,23)(H,21,24,25);2*1H.
What are the key properties of 1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride has a molecular weight of 418.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119453510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).