N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide

C19H16BrN3O — CID 113019208

IUPACN-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C19H16BrN3O/c1-13-4-2-3-5-17(13)19(24)23-16-10-11-18(21-12-16)22-15-8-6-14(20)7-9-15/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyMSGBKIHMSOIIKK-UHFFFAOYSA-N
MW382.26 g/mol
LogP5.15
Rot. Bonds4

About N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide

N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide (PubChem CID 113019208) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide
PubChem CID113019208
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC NameN-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C19H16BrN3O/c1-13-4-2-3-5-17(13)19(24)23-16-10-11-18(21-12-16)22-15-8-6-14(20)7-9-15/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyMSGBKIHMSOIIKK-UHFFFAOYSA-N
XLogP5.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.26
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
CID 113020395
2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
CID 113019226
2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide
CID 113018308
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-(6-anilino-3-pyridinyl)-2-hydroxybenzamide
CID 110176412
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide
CID 82022480
2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023560
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
2-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012661
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
CID 113022558

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide (CID 113019208) is N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(Nc2ccc(Br)cc2)nc1.
What is the InChIKey of N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide?
The InChIKey is MSGBKIHMSOIIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-13-4-2-3-5-17(13)19(24)23-16-10-11-18(21-12-16)22-15-8-6-14(20)7-9-15/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide?
N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide has a molecular weight of 382.26 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 113019208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).