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

C22H18ClN5O3 — CID 66557448

IUPACN-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide
SMILESO=C(Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2)NCc1ccccc1Cl
InChIInChI=1S/C22H18ClN5O3/c23-18-9-2-1-6-15(18)12-25-19(29)14-27-11-5-8-17-20(27)26-22(31)28(21(17)30)13-16-7-3-4-10-24-16/h1-11H,12-14H2,(H,25,29)
InChIKeyXFLHZWUFCKMLRP-UHFFFAOYSA-N
MW435.87 g/mol
LogP1.92
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide (PubChem CID 66557448) has the molecular formula C22H18ClN5O3 and a molecular weight of 435.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide
PubChem CID66557448
Molecular FormulaC22H18ClN5O3
Molecular Weight435.87 g/mol
Exact Mass435.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide
SMILESO=C(Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2)NCc1ccccc1Cl
InChIInChI=1S/C22H18ClN5O3/c23-18-9-2-1-6-15(18)12-25-19(29)14-27-11-5-8-17-20(27)26-22(31)28(21(17)30)13-16-7-3-4-10-24-16/h1-11H,12-14H2,(H,25,29)
InChIKeyXFLHZWUFCKMLRP-UHFFFAOYSA-N
XLogP1.92
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 56725526
3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 56725503
2-(2-chlorophenyl)-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]acetamide
CID 121049320
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151
N-[(2-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164249
N-[(2-chlorophenyl)methyl]-2-(4-methyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53172386
4-[(2-chlorophenyl)methyl]-5-oxo-N-(pyridin-2-ylmethyl)imidazo[1,2-a]quinazoline-2-carboxamide
CID 166064088
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-quinolin-8-ylacetamide
CID 51307001
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 100734816
N-[(2-chlorophenyl)methyl]-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 25284282
N-[(2-chlorophenyl)methyl]-2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7422934

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide (CID 66557448) is N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide is O=C(Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide?
The InChIKey is XFLHZWUFCKMLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3/c23-18-9-2-1-6-15(18)12-25-19(29)14-27-11-5-8-17-20(27)26-22(31)28(21(17)30)13-16-7-3-4-10-24-16/h1-11H,12-14H2,(H,25,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide has a molecular weight of 435.87 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide is sourced from PubChem (CID 66557448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).