N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C22H24N4O3 — CID 39298724

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4c(c3)CCC4)cc(C(C)C)nc21
InChIInChI=1S/C22H24N4O3/c1-4-26-19-18(21(28)25-22(26)29)16(11-17(24-19)12(2)3)20(27)23-15-9-8-13-6-5-7-14(13)10-15/h8-12H,4-7H2,1-3H3,(H,23,27)(H,25,28,29)
InChIKeyYSHMLLJXSLRJME-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.97
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39298724) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID39298724
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4c(c3)CCC4)cc(C(C)C)nc21
InChIInChI=1S/C22H24N4O3/c1-4-26-19-18(21(28)25-22(26)29)16(11-17(24-19)12(2)3)20(27)23-15-9-8-13-6-5-7-14(13)10-15/h8-12H,4-7H2,1-3H3,(H,23,27)(H,25,28,29)
InChIKeyYSHMLLJXSLRJME-UHFFFAOYSA-N
XLogP2.97
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(3,4-difluorophenyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39297501
1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55581069
N-(3-bromophenyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266984
ethyl 5-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 55627109
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55814273
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 18802061
1-ethyl-N-(5-fluoro-2-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39297586
1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39676348
methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate
CID 55962659
N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119384958
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-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55568821

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 39298724) is N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4c(c3)CCC4)cc(C(C)C)nc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is YSHMLLJXSLRJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-26-19-18(21(28)25-22(26)29)16(11-17(24-19)12(2)3)20(27)23-15-9-8-13-6-5-7-14(13)10-15/h8-12H,4-7H2,1-3H3,(H,23,27)(H,25,28,29).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39298724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).