1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C26H31N5O4 — CID 55599807

IUPAC1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc(C(C)C)nc21
InChIInChI=1S/C26H31N5O4/c1-15(2)13-31-23-22(25(34)29-26(31)35)19(12-20(28-23)16(3)4)24(33)27-18-8-5-7-17(11-18)14-30-10-6-9-21(30)32/h5,7-8,11-12,15-16H,6,9-10,13-14H2,1-4H3,(H,27,33)(H,29,34,35)
InChIKeyZNIUTUFQLINQEI-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.24
Rot. Bonds7

About 1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55599807) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55599807
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc(C(C)C)nc21
InChIInChI=1S/C26H31N5O4/c1-15(2)13-31-23-22(25(34)29-26(31)35)19(12-20(28-23)16(3)4)24(33)27-18-8-5-7-17(11-18)14-30-10-6-9-21(30)32/h5,7-8,11-12,15-16H,6,9-10,13-14H2,1-4H3,(H,27,33)(H,29,34,35)
InChIKeyZNIUTUFQLINQEI-UHFFFAOYSA-N
XLogP3.24
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39856077
N-(1H-indazol-6-yl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 47092105
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 52649591
5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39322932
N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39676176
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
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37036301
N-(5-chloro-2-methoxyphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267329
N-(4,5-dimethoxy-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39298863
1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267672
ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17413883
4-bromo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563195

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 55599807) is 1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc(C(C)C)nc21.
What is the InChIKey of 1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ZNIUTUFQLINQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-15(2)13-31-23-22(25(34)29-26(31)35)19(12-20(28-23)16(3)4)24(33)27-18-8-5-7-17(11-18)14-30-10-6-9-21(30)32/h5,7-8,11-12,15-16H,6,9-10,13-14H2,1-4H3,(H,27,33)(H,29,34,35).
What are the key properties of 1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55599807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).