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

C15H21Cl2N5O3 — CID 119558800

IUPAC2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C15H19N5O3.2ClH/c21-13(17-5-3-9-2-1-4-16-7-9)10-6-11-12(18-8-10)19-15(23)20-14(11)22;;/h6,8-9,16H,1-5,7H2,(H,17,21)(H2,18,19,20,22,23);2*1H
InChIKeyRDQPVGUTKCFDJF-UHFFFAOYSA-N
MW390.27 g/mol
LogP0.57
Rot. Bonds4

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

2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride (PubChem CID 119558800) has the molecular formula C15H21Cl2N5O3 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
PubChem CID119558800
Molecular FormulaC15H21Cl2N5O3
Molecular Weight390.27 g/mol
Exact Mass389.10
IUPAC Name2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C15H19N5O3.2ClH/c21-13(17-5-3-9-2-1-4-16-7-9)10-6-11-12(18-8-10)19-15(23)20-14(11)22;;/h6,8-9,16H,1-5,7H2,(H,17,21)(H2,18,19,20,22,23);2*1H
InChIKeyRDQPVGUTKCFDJF-UHFFFAOYSA-N
XLogP0.57
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119537449
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119534871
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 119352749
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119556637
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119554967
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 119555122

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
The IUPAC name of 2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride (CID 119558800) is 2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride.
What is the SMILES notation for 2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
The canonical SMILES for 2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCCNC1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
The InChIKey is RDQPVGUTKCFDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3.2ClH/c21-13(17-5-3-9-2-1-4-16-7-9)10-6-11-12(18-8-10)19-15(23)20-14(11)22;;/h6,8-9,16H,1-5,7H2,(H,17,21)(H2,18,19,20,22,23);2*1H.
What are the key properties of 2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride has a molecular weight of 390.27 g/mol, XLogP of 0.57, 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-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride is sourced from PubChem (CID 119558800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).