2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide

C18H16ClN3O2 — CID 123395128

IUPAC2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide
SMILESCOc1ccc2cc(-c3ccnc(C)n3)cc(NC(=O)CCl)c2c1
InChIInChI=1S/C18H16ClN3O2/c1-11-20-6-5-16(21-11)13-7-12-3-4-14(24-2)9-15(12)17(8-13)22-18(23)10-19/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyAMNIROWOJDGGJQ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.79
Rot. Bonds4

About 2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide

2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide (PubChem CID 123395128) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide
PubChem CID123395128
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide
SMILESCOc1ccc2cc(-c3ccnc(C)n3)cc(NC(=O)CCl)c2c1
InChIInChI=1S/C18H16ClN3O2/c1-11-20-6-5-16(21-11)13-7-12-3-4-14(24-2)9-15(12)17(8-13)22-18(23)10-19/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyAMNIROWOJDGGJQ-UHFFFAOYSA-N
XLogP3.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide
CID 53258879
[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid
CID 67493714
N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
CID 53257948
N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide
CID 58336404
N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 58336427
N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
CID 67493925
2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide
CID 67307532
2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide
CID 89139592
tert-butyl N-[3-[2-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamate
CID 53257822
2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 67493734
3-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]pyrrolidine-1-carboxylic acid
CID 123573558
4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine
CID 53258284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide?
The IUPAC name of 2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide (CID 123395128) is 2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide?
The canonical SMILES for 2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide is COc1ccc2cc(-c3ccnc(C)n3)cc(NC(=O)CCl)c2c1.
What is the InChIKey of 2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide?
The InChIKey is AMNIROWOJDGGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-20-6-5-16(21-11)13-7-12-3-4-14(24-2)9-15(12)17(8-13)22-18(23)10-19/h3-9H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide?
2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide is sourced from PubChem (CID 123395128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).