N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

C21H18BrN3O — CID 70979367

IUPACN-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESC/C=C(/c1ccc(Br)cc1)c1ccc(NC(=O)c2cnccc2C)nc1
InChIInChI=1S/C21H18BrN3O/c1-3-18(15-4-7-17(22)8-5-15)16-6-9-20(24-12-16)25-21(26)19-13-23-11-10-14(19)2/h3-13H,1-2H3,(H,24,25,26)/b18-3-
InChIKeyGOZMHJKUTPQVNH-ZUWFHJRGSA-N
MW408.30 g/mol
LogP5.25
Rot. Bonds4

About N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 70979367) has the molecular formula C21H18BrN3O and a molecular weight of 408.30 g/mol. Its IUPAC name is N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID70979367
Molecular FormulaC21H18BrN3O
Molecular Weight408.30 g/mol
Exact Mass407.06
IUPAC NameN-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESC/C=C(/c1ccc(Br)cc1)c1ccc(NC(=O)c2cnccc2C)nc1
InChIInChI=1S/C21H18BrN3O/c1-3-18(15-4-7-17(22)8-5-15)16-6-9-20(24-12-16)25-21(26)19-13-23-11-10-14(19)2/h3-13H,1-2H3,(H,24,25,26)/b18-3-
InChIKeyGOZMHJKUTPQVNH-ZUWFHJRGSA-N
XLogP5.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.30
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 70979367) is N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is C/C=C(/c1ccc(Br)cc1)c1ccc(NC(=O)c2cnccc2C)nc1.
What is the InChIKey of N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is GOZMHJKUTPQVNH-ZUWFHJRGSA-N. The full InChI is InChI=1S/C21H18BrN3O/c1-3-18(15-4-7-17(22)8-5-15)16-6-9-20(24-12-16)25-21(26)19-13-23-11-10-14(19)2/h3-13H,1-2H3,(H,24,25,26)/b18-3-.
What are the key properties of N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 408.30 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70979367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).