[3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone

C21H20N2O2 — CID 67104837

IUPAC[3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ccnc(-c2c(C)cccc2C)c1N
InChIInChI=1S/C21H20N2O2/c1-13-7-6-8-14(2)18(13)20-19(22)16(11-12-23-20)21(24)15-9-4-5-10-17(15)25-3/h4-12H,22H2,1-3H3
InChIKeyUXXCAQKQVMNXCX-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.19
Rot. Bonds4

About [3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone

[3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone (PubChem CID 67104837) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is [3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone
PubChem CID67104837
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name[3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ccnc(-c2c(C)cccc2C)c1N
InChIInChI=1S/C21H20N2O2/c1-13-7-6-8-14(2)18(13)20-19(22)16(11-12-23-20)21(24)15-9-4-5-10-17(15)25-3/h4-12H,22H2,1-3H3
InChIKeyUXXCAQKQVMNXCX-UHFFFAOYSA-N
XLogP4.19
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-2-(2-methoxyphenyl)-4-pyridinyl]-(2-chlorophenyl)methanone
CID 24744662
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
(3-amino-2-methylphenyl)-(2-methoxyphenyl)methanone
CID 82044477
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
(5-amino-2-methoxyphenyl)-(2-methylphenyl)methanone
CID 82084658
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid
CID 67694082
[2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone
CID 144622608

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone (CID 67104837) is [3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1ccnc(-c2c(C)cccc2C)c1N.
What is the InChIKey of [3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone?
The InChIKey is UXXCAQKQVMNXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-13-7-6-8-14(2)18(13)20-19(22)16(11-12-23-20)21(24)15-9-4-5-10-17(15)25-3/h4-12H,22H2,1-3H3.
What are the key properties of [3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone?
[3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone has a molecular weight of 332.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-(2,6-dimethylphenyl)-4-pyridinyl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 67104837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).