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

C19H21ClN6O3 — CID 164519546

IUPACN-(4-chlorophenyl)-2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide
SMILESCN(C)c1cc(NCC(=O)Nc2ccc(Cl)cc2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C19H21ClN6O3/c1-24(2)14-9-13(16-17(23-14)25(3)19(29)26(4)18(16)28)21-10-15(27)22-12-7-5-11(20)6-8-12/h5-9H,10H2,1-4H3,(H,21,23)(H,22,27)
InChIKeyFMOWUWWKKHYIQG-UHFFFAOYSA-N
MW416.87 g/mol
LogP1.40
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide (PubChem CID 164519546) has the molecular formula C19H21ClN6O3 and a molecular weight of 416.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide
PubChem CID164519546
Molecular FormulaC19H21ClN6O3
Molecular Weight416.87 g/mol
Exact Mass416.14
IUPAC NameN-(4-chlorophenyl)-2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide
SMILESCN(C)c1cc(NCC(=O)Nc2ccc(Cl)cc2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C19H21ClN6O3/c1-24(2)14-9-13(16-17(23-14)25(3)19(29)26(4)18(16)28)21-10-15(27)22-12-7-5-11(20)6-8-12/h5-9H,10H2,1-4H3,(H,21,23)(H,22,27)
InChIKeyFMOWUWWKKHYIQG-UHFFFAOYSA-N
XLogP1.40
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 51.40
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-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide (CID 164519546) is N-(4-chlorophenyl)-2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide is CN(C)c1cc(NCC(=O)Nc2ccc(Cl)cc2)c2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide?
The InChIKey is FMOWUWWKKHYIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O3/c1-24(2)14-9-13(16-17(23-14)25(3)19(29)26(4)18(16)28)21-10-15(27)22-12-7-5-11(20)6-8-12/h5-9H,10H2,1-4H3,(H,21,23)(H,22,27).
What are the key properties of N-(4-chlorophenyl)-2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide?
N-(4-chlorophenyl)-2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide has a molecular weight of 416.87 g/mol, XLogP of 1.40, 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-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]acetamide is sourced from PubChem (CID 164519546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).