7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

C21H29N5O3 — CID 119397751

IUPAC7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCC(CNC)C3)cc(C3CC3)nc21
InChIInChI=1S/C21H29N5O3/c1-3-8-26-18-17(19(27)24-21(26)29)15(10-16(23-18)14-6-7-14)20(28)25-9-4-5-13(12-25)11-22-2/h10,13-14,22H,3-9,11-12H2,1-2H3,(H,24,27,29)
InChIKeyUEXNJNNMNOIYKO-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.44
Rot. Bonds6

About 7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 119397751) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID119397751
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCC(CNC)C3)cc(C3CC3)nc21
InChIInChI=1S/C21H29N5O3/c1-3-8-26-18-17(19(27)24-21(26)29)15(10-16(23-18)14-6-7-14)20(28)25-9-4-5-13(12-25)11-22-2/h10,13-14,22H,3-9,11-12H2,1-2H3,(H,24,27,29)
InChIKeyUEXNJNNMNOIYKO-UHFFFAOYSA-N
XLogP1.44
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-(3-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 119380475
ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 39297679
5-(4-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119375755
5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55948407
7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 112843664
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398868
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119629261
2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119348614
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260
N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119571079
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119486108
N-(1-amino-2-methylpropan-2-yl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119524035

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (CID 119397751) is 7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCC(CNC)C3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UEXNJNNMNOIYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-3-8-26-18-17(19(27)24-21(26)29)15(10-16(23-18)14-6-7-14)20(28)25-9-4-5-13(12-25)11-22-2/h10,13-14,22H,3-9,11-12H2,1-2H3,(H,24,27,29).
What are the key properties of 7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 399.50 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 119397751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).