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

C18H27Cl2N5O3 — CID 119389673

IUPAC1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCNCC3)cc(C(C)C)nc21.Cl.Cl
InChIInChI=1S/C18H25N5O3.2ClH/c1-4-23-15-14(17(25)22-18(23)26)12(9-13(21-15)10(2)3)16(24)20-11-5-7-19-8-6-11;;/h9-11,19H,4-8H2,1-3H3,(H,20,24)(H,22,25,26);2*1H
InChIKeyNEGMECGXZCWIHK-UHFFFAOYSA-N
MW432.35 g/mol
LogP1.55
Rot. Bonds4

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

1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (PubChem CID 119389673) has the molecular formula C18H27Cl2N5O3 and a molecular weight of 432.35 g/mol. Its IUPAC name is 1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
PubChem CID119389673
Molecular FormulaC18H27Cl2N5O3
Molecular Weight432.35 g/mol
Exact Mass431.15
IUPAC Name1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCNCC3)cc(C(C)C)nc21.Cl.Cl
InChIInChI=1S/C18H25N5O3.2ClH/c1-4-23-15-14(17(25)22-18(23)26)12(9-13(21-15)10(2)3)16(24)20-11-5-7-19-8-6-11;;/h9-11,19H,4-8H2,1-3H3,(H,20,24)(H,22,25,26);2*1H
InChIKeyNEGMECGXZCWIHK-UHFFFAOYSA-N
XLogP1.55
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The IUPAC name of 1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (CID 119389673) is 1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.
What is the SMILES notation for 1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The canonical SMILES for 1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is CCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCNCC3)cc(C(C)C)nc21.Cl.Cl.
What is the InChIKey of 1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The InChIKey is NEGMECGXZCWIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3.2ClH/c1-4-23-15-14(17(25)22-18(23)26)12(9-13(21-15)10(2)3)16(24)20-11-5-7-19-8-6-11;;/h9-11,19H,4-8H2,1-3H3,(H,20,24)(H,22,25,26);2*1H.
What are the key properties of 1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride has a molecular weight of 432.35 g/mol, XLogP of 1.55, 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-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119389673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).