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

C19H29Cl2N5O3 — CID 120574490

IUPAC1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCCNC3C)cc(C(C)C)nc21.Cl.Cl
InChIInChI=1S/C19H27N5O3.2ClH/c1-5-24-16-15(18(26)23-19(24)27)12(9-14(21-16)10(2)3)17(25)22-13-7-6-8-20-11(13)4;;/h9-11,13,20H,5-8H2,1-4H3,(H,22,25)(H,23,26,27);2*1H
InChIKeyJUIVPOHWZWOEGZ-UHFFFAOYSA-N
MW446.38 g/mol
LogP1.94
Rot. Bonds4

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

1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (PubChem CID 120574490) has the molecular formula C19H29Cl2N5O3 and a molecular weight of 446.38 g/mol. Its IUPAC name is 1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
PubChem CID120574490
Molecular FormulaC19H29Cl2N5O3
Molecular Weight446.38 g/mol
Exact Mass445.16
IUPAC Name1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCCNC3C)cc(C(C)C)nc21.Cl.Cl
InChIInChI=1S/C19H27N5O3.2ClH/c1-5-24-16-15(18(26)23-19(24)27)12(9-14(21-16)10(2)3)17(25)22-13-7-6-8-20-11(13)4;;/h9-11,13,20H,5-8H2,1-4H3,(H,22,25)(H,23,26,27);2*1H
InChIKeyJUIVPOHWZWOEGZ-UHFFFAOYSA-N
XLogP1.94
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The IUPAC name of 1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (CID 120574490) is 1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.
What is the SMILES notation for 1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The canonical SMILES for 1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is CCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCCNC3C)cc(C(C)C)nc21.Cl.Cl.
What is the InChIKey of 1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The InChIKey is JUIVPOHWZWOEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3.2ClH/c1-5-24-16-15(18(26)23-19(24)27)12(9-14(21-16)10(2)3)17(25)22-13-7-6-8-20-11(13)4;;/h9-11,13,20H,5-8H2,1-4H3,(H,22,25)(H,23,26,27);2*1H.
What are the key properties of 1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride has a molecular weight of 446.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methylpiperidin-3-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120574490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).