N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide

C21H16ClN5O3 — CID 56725541

IUPACN-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide
SMILESO=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN5O3/c22-15-5-7-16(8-6-15)24-18(28)13-26-10-2-4-17-19(26)25-21(30)27(20(17)29)12-14-3-1-9-23-11-14/h1-11H,12-13H2,(H,24,28)
InChIKeyDGGKGYBANLNZHN-UHFFFAOYSA-N
MW421.84 g/mol
LogP2.25
Rot. Bonds5

About N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide

N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide (PubChem CID 56725541) has the molecular formula C21H16ClN5O3 and a molecular weight of 421.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide
PubChem CID56725541
Molecular FormulaC21H16ClN5O3
Molecular Weight421.84 g/mol
Exact Mass421.09
IUPAC NameN-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide
SMILESO=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN5O3/c22-15-5-7-16(8-6-15)24-18(28)13-26-10-2-4-17-19(26)25-21(30)27(20(17)29)12-14-3-1-9-23-11-14/h1-11H,12-13H2,(H,24,28)
InChIKeyDGGKGYBANLNZHN-UHFFFAOYSA-N
XLogP2.25
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(4-methoxyphenyl)acetamide
CID 56725553
2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methoxyphenyl)acetamide
CID 56725549
8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 66557401
8-(2-naphthalen-2-yl-2-oxoethyl)-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 66557396
8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56725529
8-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56725582
2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(3-methylphenyl)acetamide
CID 56725661
N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide
CID 66557448
N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide
CID 51091959
2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 56725526
2-(5-chloroindol-1-yl)-N-pyridin-3-ylacetamide
CID 39341577
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxopyrazin-1-yl]-N-phenylacetamide
CID 22520244

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide (CID 56725541) is N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide is O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide?
The InChIKey is DGGKGYBANLNZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O3/c22-15-5-7-16(8-6-15)24-18(28)13-26-10-2-4-17-19(26)25-21(30)27(20(17)29)12-14-3-1-9-23-11-14/h1-11H,12-13H2,(H,24,28).
What are the key properties of N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide?
N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide has a molecular weight of 421.84 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide is sourced from PubChem (CID 56725541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).