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

C19H29Cl2N5O3 — CID 119427769

IUPAC2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCCNC3)cc(C(C)C)nc21.Cl.Cl
InChIInChI=1S/C19H27N5O3.2ClH/c1-4-8-24-16-15(18(26)23-19(24)27)13(9-14(22-16)11(2)3)17(25)21-12-6-5-7-20-10-12;;/h9,11-12,20H,4-8,10H2,1-3H3,(H,21,25)(H,23,26,27);2*1H
InChIKeyBWSAHCTUHRUNQO-UHFFFAOYSA-N
MW446.38 g/mol
LogP1.94
Rot. Bonds5

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

2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (PubChem CID 119427769) has the molecular formula C19H29Cl2N5O3 and a molecular weight of 446.38 g/mol. Its IUPAC name is 2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
PubChem CID119427769
Molecular FormulaC19H29Cl2N5O3
Molecular Weight446.38 g/mol
Exact Mass445.16
IUPAC Name2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCCNC3)cc(C(C)C)nc21.Cl.Cl
InChIInChI=1S/C19H27N5O3.2ClH/c1-4-8-24-16-15(18(26)23-19(24)27)13(9-14(22-16)11(2)3)17(25)21-12-6-5-7-20-10-12;;/h9,11-12,20H,4-8,10H2,1-3H3,(H,21,25)(H,23,26,27);2*1H
InChIKeyBWSAHCTUHRUNQO-UHFFFAOYSA-N
XLogP1.94
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
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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Related Compounds

1-ethyl-2,4-dioxo-7-propan-2-yl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119453510
2,4-dioxo-N-(piperidin-3-ylmethyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119463221
1-ethyl-2,4-dioxo-N-piperidin-4-yl-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119389673
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-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)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119384530
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
N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119642692
7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 120554882
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119607991
N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119604468
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 56537653

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The IUPAC name of 2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (CID 119427769) is 2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The canonical SMILES for 2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCCNC3)cc(C(C)C)nc21.Cl.Cl.
What is the InChIKey of 2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The InChIKey is BWSAHCTUHRUNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3.2ClH/c1-4-8-24-16-15(18(26)23-19(24)27)13(9-14(22-16)11(2)3)17(25)21-12-6-5-7-20-10-12;;/h9,11-12,20H,4-8,10H2,1-3H3,(H,21,25)(H,23,26,27);2*1H.
What are the key properties of 2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride has a molecular weight of 446.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119427769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).