N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C21H23N5O3 — CID 24632331

IUPACN-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)cnc21
InChIInChI=1S/C21H23N5O3/c1-25-18-17(20(28)24-21(25)29)11-15(12-22-18)19(27)23-16-7-9-26(10-8-16)13-14-5-3-2-4-6-14/h2-6,11-12,16H,7-10,13H2,1H3,(H,23,27)(H,24,28,29)
InChIKeyDJWXGLQZMSDXJK-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.02
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24632331) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID24632331
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)cnc21
InChIInChI=1S/C21H23N5O3/c1-25-18-17(20(28)24-21(25)29)11-15(12-22-18)19(27)23-16-7-9-26(10-8-16)13-14-5-3-2-4-6-14/h2-6,11-12,16H,7-10,13H2,1H3,(H,23,27)(H,24,28,29)
InChIKeyDJWXGLQZMSDXJK-UHFFFAOYSA-N
XLogP1.02
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 39984479
N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553241
N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 154806982
N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 154800554
N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 22588176
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666398
N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506963
N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 3232154
N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 43064063
2-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 122523723
6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 12028356

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 24632331) is N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)cnc21.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DJWXGLQZMSDXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-25-18-17(20(28)24-21(25)29)11-15(12-22-18)19(27)23-16-7-9-26(10-8-16)13-14-5-3-2-4-6-14/h2-6,11-12,16H,7-10,13H2,1H3,(H,23,27)(H,24,28,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24632331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).