7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

C20H27N5O3 — CID 120554882

IUPAC7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCNCC3C)cc(C3CC3)nc21
InChIInChI=1S/C20H27N5O3/c1-3-8-25-17-16(19(27)24-20(25)28)13(9-15(22-17)12-4-5-12)18(26)23-14-6-7-21-10-11(14)2/h9,11-12,14,21H,3-8,10H2,1-2H3,(H,23,26)(H,24,27,28)
InChIKeyFBLHRJVKRJCAIT-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.10
Rot. Bonds5

About 7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 120554882) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID120554882
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCNCC3C)cc(C3CC3)nc21
InChIInChI=1S/C20H27N5O3/c1-3-8-25-17-16(19(27)24-20(25)28)13(9-15(22-17)12-4-5-12)18(26)23-14-6-7-21-10-11(14)2/h9,11-12,14,21H,3-8,10H2,1-2H3,(H,23,26)(H,24,27,28)
InChIKeyFBLHRJVKRJCAIT-UHFFFAOYSA-N
XLogP1.10
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

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
CID 119629261
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
N-(1-amino-2-methylpropan-2-yl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119524035
7-cyclopropyl-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 86937513
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
N-(2-aminophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119422524
2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119427769
7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37191076
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
6-cyclopropyl-N-(3-methylpiperidin-4-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120553846

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 120554882) is 7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCNCC3C)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FBLHRJVKRJCAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-3-8-25-17-16(19(27)24-20(25)28)13(9-15(22-17)12-4-5-12)18(26)23-14-6-7-21-10-11(14)2/h9,11-12,14,21H,3-8,10H2,1-2H3,(H,23,26)(H,24,27,28).
What are the key properties of 7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-(3-methylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 120554882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).