2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride

C14H19Cl2N5O3 — CID 119537449

IUPAC2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C14H17N5O3.2ClH/c20-12(16-4-2-8-1-3-15-6-8)9-5-10-11(17-7-9)18-14(22)19-13(10)21;;/h5,7-8,15H,1-4,6H2,(H,16,20)(H2,17,18,19,21,22);2*1H
InChIKeyITILKUOCUVECAV-UHFFFAOYSA-N
MW376.24 g/mol
LogP0.18
Rot. Bonds4

About 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride

2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride (PubChem CID 119537449) has the molecular formula C14H19Cl2N5O3 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
PubChem CID119537449
Molecular FormulaC14H19Cl2N5O3
Molecular Weight376.24 g/mol
Exact Mass375.09
IUPAC Name2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C14H17N5O3.2ClH/c20-12(16-4-2-8-1-3-15-6-8)9-5-10-11(17-7-9)18-14(22)19-13(10)21;;/h5,7-8,15H,1-4,6H2,(H,16,20)(H2,17,18,19,21,22);2*1H
InChIKeyITILKUOCUVECAV-UHFFFAOYSA-N
XLogP0.18
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119558800
1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119534871
5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide
CID 55257173
5-methyl-2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 119537574
4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 119352749
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119537569
5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535829
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119533362
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534238

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
The IUPAC name of 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride (CID 119537449) is 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride.
What is the SMILES notation for 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
The canonical SMILES for 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCNC1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
The InChIKey is ITILKUOCUVECAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3.2ClH/c20-12(16-4-2-8-1-3-15-6-8)9-5-10-11(17-7-9)18-14(22)19-13(10)21;;/h5,7-8,15H,1-4,6H2,(H,16,20)(H2,17,18,19,21,22);2*1H.
What are the key properties of 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride has a molecular weight of 376.24 g/mol, XLogP of 0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride is sourced from PubChem (CID 119537449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).