N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide

C21H23ClN6O3 — CID 164519548

IUPACN-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide
SMILESCn1c(=O)c2c(NCC(=O)Nc3ccc(Cl)cc3)cc(N3CCCC3)nc2n(C)c1=O
InChIInChI=1S/C21H23ClN6O3/c1-26-19-18(20(30)27(2)21(26)31)15(11-16(25-19)28-9-3-4-10-28)23-12-17(29)24-14-7-5-13(22)6-8-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,23,25)(H,24,29)
InChIKeyBYHKBUXGHWYGAE-UHFFFAOYSA-N
MW442.91 g/mol
LogP1.94
Rot. Bonds5

About N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide

N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide (PubChem CID 164519548) has the molecular formula C21H23ClN6O3 and a molecular weight of 442.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide
PubChem CID164519548
Molecular FormulaC21H23ClN6O3
Molecular Weight442.91 g/mol
Exact Mass442.15
IUPAC NameN-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide
SMILESCn1c(=O)c2c(NCC(=O)Nc3ccc(Cl)cc3)cc(N3CCCC3)nc2n(C)c1=O
InChIInChI=1S/C21H23ClN6O3/c1-26-19-18(20(30)27(2)21(26)31)15(11-16(25-19)28-9-3-4-10-28)23-12-17(29)24-14-7-5-13(22)6-8-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,23,25)(H,24,29)
InChIKeyBYHKBUXGHWYGAE-UHFFFAOYSA-N
XLogP1.94
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide (CID 164519548) is N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide is Cn1c(=O)c2c(NCC(=O)Nc3ccc(Cl)cc3)cc(N3CCCC3)nc2n(C)c1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide?
The InChIKey is BYHKBUXGHWYGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O3/c1-26-19-18(20(30)27(2)21(26)31)15(11-16(25-19)28-9-3-4-10-28)23-12-17(29)24-14-7-5-13(22)6-8-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,23,25)(H,24,29).
What are the key properties of N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide?
N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide has a molecular weight of 442.91 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]acetamide is sourced from PubChem (CID 164519548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).