N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide

C17H16ClN3O2 — CID 53164200

IUPACN-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
SMILESCn1ccc2ccn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c21
InChIInChI=1S/C17H16ClN3O2/c1-20-8-6-13-7-9-21(17(23)16(13)20)11-15(22)19-10-12-2-4-14(18)5-3-12/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyKFPRZADUIAKZCX-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.31
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide (PubChem CID 53164200) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
PubChem CID53164200
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
SMILESCn1ccc2ccn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c21
InChIInChI=1S/C17H16ClN3O2/c1-20-8-6-13-7-9-21(17(23)16(13)20)11-15(22)19-10-12-2-4-14(18)5-3-12/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyKFPRZADUIAKZCX-UHFFFAOYSA-N
XLogP2.31
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164211
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 27686969
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164177
N-[(4-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906423
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 46395148
N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906439
N-[(4-chlorophenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 25399300
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 100734852
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
N-[(4-chlorophenyl)methyl]-2-(1,3,9-trimethyl-2,6-dioxo-8H-purin-7-yl)acetamide
CID 129289598
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide
CID 46395179

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide (CID 53164200) is N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide is Cn1ccc2ccn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide?
The InChIKey is KFPRZADUIAKZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-20-8-6-13-7-9-21(17(23)16(13)20)11-15(22)19-10-12-2-4-14(18)5-3-12/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide has a molecular weight of 329.79 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 53164200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).